N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine

C18H22ClNO — CID 104815787

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22ClNO/c1-13(2)18(14-8-5-4-6-9-14)20-12-15-16(19)10-7-11-17(15)21-3/h4-11,13,18,20H,12H2,1-3H3
InChIKeyBKLGWGWIFQYTPF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.84
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 104815787) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID104815787
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22ClNO/c1-13(2)18(14-8-5-4-6-9-14)20-12-15-16(19)10-7-11-17(15)21-3/h4-11,13,18,20H,12H2,1-3H3
InChIKeyBKLGWGWIFQYTPF-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-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

3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 104815845
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
CID 126809172
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 104815787) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine is COc1cccc(Cl)c1CNC(c1ccccc1)C(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is BKLGWGWIFQYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)18(14-8-5-4-6-9-14)20-12-15-16(19)10-7-11-17(15)21-3/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104815787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).