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

C18H22ClNO — CID 106861670

IUPACN-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(COc2cccc(CNC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)20-11-15-5-4-6-17(10-15)21-12-16-8-7-14(3)9-18(16)19/h4-10,13,20H,11-12H2,1-3H3
InChIKeyDWULPZQIMUIUBC-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.73
Rot. Bonds6

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

N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 106861670) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID106861670
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(COc2cccc(CNC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)20-11-15-5-4-6-17(10-15)21-12-16-8-7-14(3)9-18(16)19/h4-10,13,20H,11-12H2,1-3H3
InChIKeyDWULPZQIMUIUBC-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
2-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528196
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (CID 106861670) is N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccc(COc2cccc(CNC(C)C)c2)c(Cl)c1.
What is the InChIKey of N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is DWULPZQIMUIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)20-11-15-5-4-6-17(10-15)21-12-16-8-7-14(3)9-18(16)19/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).