N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine

C16H17Cl2NO — CID 63499398

IUPACN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-12-6-7-16(15(18)9-12)20-11-13-4-3-5-14(17)8-13/h3-9,19H,2,10-11H2,1H3
InChIKeyXRPJUANWENORMQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.68
Rot. Bonds6

About N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine

N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63499398) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID63499398
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-12-6-7-16(15(18)9-12)20-11-13-4-3-5-14(17)8-13/h3-9,19H,2,10-11H2,1H3
InChIKeyXRPJUANWENORMQ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126127595
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine (CID 63499398) is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is XRPJUANWENORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-10-12-6-7-16(15(18)9-12)20-11-13-4-3-5-14(17)8-13/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).