2-(2-phenylmethoxyphenyl)butane-1,3-diamine

C17H22N2O — CID 57280204

IUPAC2-(2-phenylmethoxyphenyl)butane-1,3-diamine
SMILESCC(N)C(CN)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-13(19)16(11-18)15-9-5-6-10-17(15)20-12-14-7-3-2-4-8-14/h2-10,13,16H,11-12,18-19H2,1H3
InChIKeyUPGSRXYPYAIRGK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-phenylmethoxyphenyl)butane-1,3-diamine

2-(2-phenylmethoxyphenyl)butane-1,3-diamine (PubChem CID 57280204) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)butane-1,3-diamine
PubChem CID57280204
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(2-phenylmethoxyphenyl)butane-1,3-diamine
SMILESCC(N)C(CN)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-13(19)16(11-18)15-9-5-6-10-17(15)20-12-14-7-3-2-4-8-14/h2-10,13,16H,11-12,18-19H2,1H3
InChIKeyUPGSRXYPYAIRGK-UHFFFAOYSA-N
XLogP2.66
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)butane-1,3-diamine?
The IUPAC name of 2-(2-phenylmethoxyphenyl)butane-1,3-diamine (CID 57280204) is 2-(2-phenylmethoxyphenyl)butane-1,3-diamine.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)butane-1,3-diamine?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)butane-1,3-diamine is CC(N)C(CN)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)butane-1,3-diamine?
The InChIKey is UPGSRXYPYAIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(19)16(11-18)15-9-5-6-10-17(15)20-12-14-7-3-2-4-8-14/h2-10,13,16H,11-12,18-19H2,1H3.
What are the key properties of 2-(2-phenylmethoxyphenyl)butane-1,3-diamine?
2-(2-phenylmethoxyphenyl)butane-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)butane-1,3-diamine is sourced from PubChem (CID 57280204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).