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

C18H22ClNO — CID 66158279

IUPACN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-10-16(19)6-7-17(15)14-5-8-18(21-4)13(3)9-14/h5-10,12,20H,11H2,1-4H3
InChIKeyMHCIBHPLDXVDEU-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.82
Rot. Bonds5

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

N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 66158279) 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-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID66158279
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-10-16(19)6-7-17(15)14-5-8-18(21-4)13(3)9-14/h5-10,12,20H,11H2,1-4H3
InChIKeyMHCIBHPLDXVDEU-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 66159713
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 113407375

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine (CID 66158279) is N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine is COc1ccc(-c2ccc(Cl)cc2CNC(C)C)cc1C.
What is the InChIKey of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is MHCIBHPLDXVDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)20-11-15-10-16(19)6-7-17(15)14-5-8-18(21-4)13(3)9-14/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.82, 5 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-2-amine is sourced from PubChem (CID 66158279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).