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

C19H22ClNO2 — CID 27108901

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2/t19-/m1/s1
InChIKeyMAHCHKDKEKHBON-LJQANCHMSA-N
MW331.84 g/mol
LogP4.19
Rot. Bonds7

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

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 27108901) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID27108901
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2/t19-/m1/s1
InChIKeyMAHCHKDKEKHBON-LJQANCHMSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992922
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 154879334
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 11301932

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 27108901) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is Clc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is MAHCHKDKEKHBON-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2/t19-/m1/s1.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 331.84 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 27108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).