N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine

C21H22ClNO2 — CID 66542705

IUPACN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
SMILESCCCOc1cc(Cl)c(CNc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H22ClNO2/c1-3-11-25-21-13-18(22)16(12-20(21)24-2)14-23-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13,23H,3,11,14H2,1-2H3
InChIKeyDBAKWRJFICGBFL-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.90
Rot. Bonds7

About N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine (PubChem CID 66542705) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
PubChem CID66542705
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
SMILESCCCOc1cc(Cl)c(CNc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H22ClNO2/c1-3-11-25-21-13-18(22)16(12-20(21)24-2)14-23-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13,23H,3,11,14H2,1-2H3
InChIKeyDBAKWRJFICGBFL-UHFFFAOYSA-N
XLogP5.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine 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-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
CID 66542788
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine
CID 66543090
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
1-(2-chloro-4,5-dimethoxyphenyl)-N-[(2-decoxynaphthalen-1-yl)methyl]methanamine
CID 54855639
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66530786
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 66530787
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66530872
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
CID 54855675
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
3-(1H-benzimidazol-2-yl)-N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 66537626

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine (CID 66542705) is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine is CCCOc1cc(Cl)c(CNc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine?
The InChIKey is DBAKWRJFICGBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-3-11-25-21-13-18(22)16(12-20(21)24-2)14-23-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13,23H,3,11,14H2,1-2H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine?
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine has a molecular weight of 355.87 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 66542705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).