2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

C17H20ClNO2 — CID 63454158

IUPAC2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(Cl)c(NC(C)Cc2ccccc2OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(10-13-6-4-5-7-17(13)21-3)19-16-11-14(20-2)8-9-15(16)18/h4-9,11-12,19H,10H2,1-3H3
InChIKeyUQUHHKPCIXXMAP-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.40
Rot. Bonds6

About 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (PubChem CID 63454158) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
PubChem CID63454158
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(Cl)c(NC(C)Cc2ccccc2OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(10-13-6-4-5-7-17(13)21-3)19-16-11-14(20-2)8-9-15(16)18/h4-9,11-12,19H,10H2,1-3H3
InChIKeyUQUHHKPCIXXMAP-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
CID 102869387
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858
N-(2-amino-5-methoxyphenyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119420675
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (CID 63454158) is 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is COc1ccc(Cl)c(NC(C)Cc2ccccc2OC)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is UQUHHKPCIXXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(10-13-6-4-5-7-17(13)21-3)19-16-11-14(20-2)8-9-15(16)18/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 63454158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).