N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine

C16H18ClNO — CID 62454422

IUPACN-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyFCIVMYNFNDCPDA-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine

N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62454422) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62454422
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyFCIVMYNFNDCPDA-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine 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-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine (CID 62454422) is N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is FCIVMYNFNDCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine?
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62454422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).