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

C18H22ClNO — CID 66158083

IUPACN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1-c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-9-20-12-15-11-16(19)6-7-17(15)14-5-8-18(21-3)13(2)10-14/h5-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyFULOAYQZLFYEHX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.82
Rot. Bonds6

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

N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 66158083) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID66158083
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1-c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-9-20-12-15-11-16(19)6-7-17(15)14-5-8-18(21-3)13(2)10-14/h5-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyFULOAYQZLFYEHX-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-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[5-chloro-2-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66161087
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]propan-1-amine
CID 66159130
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[5-chloro-2-(2,6-difluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 82803406
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine (CID 66158083) is N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1-c1ccc(OC)c(C)c1.
What is the InChIKey of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is FULOAYQZLFYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-9-20-12-15-11-16(19)6-7-17(15)14-5-8-18(21-3)13(2)10-14/h5-8,10-11,20H,4,9,12H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]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-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66158083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).