1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine

C15H17ClN2O — CID 170894576

IUPAC1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14H,9-10,17-18H2
InChIKeyNWHBPEULGAOUCE-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine

1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 170894576) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID170894576
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14H,9-10,17-18H2
InChIKeyNWHBPEULGAOUCE-UHFFFAOYSA-N
XLogP2.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
(3R)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid
CID 7022682
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine (CID 170894576) is 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine is NCC(N)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is NWHBPEULGAOUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14H,9-10,17-18H2.
What are the key properties of 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine?
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).