N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine

C18H22ClNO — CID 63500792

IUPACN-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccc(CC)cc1
InChIInChI=1S/C18H22ClNO/c1-3-14-5-7-15(8-6-14)13-21-18-10-9-17(19)11-16(18)12-20-4-2/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeySOYNFOHKNFPEJO-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.59
Rot. Bonds7

About N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine

N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63500792) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID63500792
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccc(CC)cc1
InChIInChI=1S/C18H22ClNO/c1-3-14-5-7-15(8-6-14)13-21-18-10-9-17(19)11-16(18)12-20-4-2/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeySOYNFOHKNFPEJO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-[(4-ethylphenyl)methoxy]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-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291748
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine (CID 63500792) is N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1ccc(CC)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is SOYNFOHKNFPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14-5-7-15(8-6-14)13-21-18-10-9-17(19)11-16(18)12-20-4-2/h5-11,20H,3-4,12-13H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.59, 7 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-ethylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63500792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).