N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine

C18H22ClNO — CID 105408414

IUPACN-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H22ClNO/c1-4-9-20-12-14-6-5-13(2)16(10-14)17-11-15(19)7-8-18(17)21-3/h5-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyNOGMTMCCLZVPSY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.82
Rot. Bonds6

About N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine

N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine (PubChem CID 105408414) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
PubChem CID105408414
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H22ClNO/c1-4-9-20-12-14-6-5-13(2)16(10-14)17-11-15(19)7-8-18(17)21-3/h5-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyNOGMTMCCLZVPSY-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406866
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine (CID 105408414) is N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-c2cc(Cl)ccc2OC)c1.
What is the InChIKey of N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The InChIKey is NOGMTMCCLZVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-9-20-12-14-6-5-13(2)16(10-14)17-11-15(19)7-8-18(17)21-3/h5-8,10-11,20H,4,9,12H2,1-3H3.
What are the key properties of N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 105408414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).