2-phenylbutane-1,4-diamine

C10H16N2 — CID 16770348

IUPAC2-phenylbutane-1,4-diamine
SMILESNCCC(CN)c1ccccc1
InChIInChI=1S/C10H16N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2
InChIKeyUTIPFOARTDBOLL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.08
Rot. Bonds4

About 2-phenylbutane-1,4-diamine

2-phenylbutane-1,4-diamine (PubChem CID 16770348) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-phenylbutane-1,4-diamine.

Molecular Properties

Compound Name2-phenylbutane-1,4-diamine
PubChem CID16770348
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-phenylbutane-1,4-diamine
SMILESNCCC(CN)c1ccccc1
InChIInChI=1S/C10H16N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2
InChIKeyUTIPFOARTDBOLL-UHFFFAOYSA-N
XLogP1.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpentane-1,5-diamine
CID 22770284
2-phenylpentan-1-amine
CID 14321247
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
5-ethyl-2-phenylheptan-1-amine
CID 82935011
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
2-phenylundecan-1-amine
CID 57256894
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
6-phenoxy-2-phenylhexan-1-amine
CID 79015445

Frequently Asked Questions

What is the IUPAC name of 2-phenylbutane-1,4-diamine?
The IUPAC name of 2-phenylbutane-1,4-diamine (CID 16770348) is 2-phenylbutane-1,4-diamine.
What is the SMILES notation for 2-phenylbutane-1,4-diamine?
The canonical SMILES for 2-phenylbutane-1,4-diamine is NCCC(CN)c1ccccc1.
What is the InChIKey of 2-phenylbutane-1,4-diamine?
The InChIKey is UTIPFOARTDBOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2.
What are the key properties of 2-phenylbutane-1,4-diamine?
2-phenylbutane-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutane-1,4-diamine is sourced from PubChem (CID 16770348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).