N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

C21H26ClNO3 — CID 51992922

IUPACN-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-19-7-4-10-25-19)8-9-20(21)26-15-17-5-3-6-18(22)11-17/h3,5-6,8-9,11-12,19,23H,2,4,7,10,13-15H2,1H3/t19-/m1/s1
InChIKeyRBTATTXNRSIOES-LJQANCHMSA-N
MW375.90 g/mol
LogP4.59
Rot. Bonds9

About N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 51992922) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID51992922
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-19-7-4-10-25-19)8-9-20(21)26-15-17-5-3-6-18(22)11-17/h3,5-6,8-9,11-12,19,23H,2,4,7,10,13-15H2,1H3/t19-/m1/s1
InChIKeyRBTATTXNRSIOES-LJQANCHMSA-N
XLogP4.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51992842
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17055819
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51995766
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17055447
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7579610
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 66531178
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717413
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 51992922) is N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is RBTATTXNRSIOES-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-19-7-4-10-25-19)8-9-20(21)26-15-17-5-3-6-18(22)11-17/h3,5-6,8-9,11-12,19,23H,2,4,7,10,13-15H2,1H3/t19-/m1/s1.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 375.90 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 51992922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).