N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine

C19H22ClNO2 — CID 54849115

IUPACN-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1c(CNCc2ccccc2Cl)cccc1OC
InChIInChI=1S/C19H22ClNO2/c1-14(2)13-23-19-16(8-6-10-18(19)22-3)12-21-11-15-7-4-5-9-17(15)20/h4-10,21H,1,11-13H2,2-3H3
InChIKeyQQTDOJZIYMASLJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.59
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine

N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine (PubChem CID 54849115) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine
PubChem CID54849115
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1c(CNCc2ccccc2Cl)cccc1OC
InChIInChI=1S/C19H22ClNO2/c1-14(2)13-23-19-16(8-6-10-18(19)22-3)12-21-11-15-7-4-5-9-17(15)20/h4-10,21H,1,11-13H2,2-3H3
InChIKeyQQTDOJZIYMASLJ-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine 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-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291687
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine (CID 54849115) is N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine is C=C(C)COc1c(CNCc2ccccc2Cl)cccc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The InChIKey is QQTDOJZIYMASLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(2)13-23-19-16(8-6-10-18(19)22-3)12-21-11-15-7-4-5-9-17(15)20/h4-10,21H,1,11-13H2,2-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine has a molecular weight of 331.84 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 54849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).