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

C16H17Cl2NO — CID 114855893

IUPACN-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-14(18)5-7-16(12)20-15-6-4-13(17)8-11(15)2/h4-9,19H,3,10H2,1-2H3
InChIKeyCHIWWSRFXPBMPD-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.20
Rot. Bonds5

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

N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 114855893) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID114855893
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-14(18)5-7-16(12)20-15-6-4-13(17)8-11(15)2/h4-9,19H,3,10H2,1-2H3
InChIKeyCHIWWSRFXPBMPD-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-(4-chloro-2-methylphenoxy)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-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 114856304
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine (CID 114855893) is N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1C.
What is the InChIKey of N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is CHIWWSRFXPBMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-14(18)5-7-16(12)20-15-6-4-13(17)8-11(15)2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 5.20, 5 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-chloro-2-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114855893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).