3-phenylhexan-3-amine

C12H19N — CID 60794511

IUPAC3-phenylhexan-3-amine
SMILESCCCC(N)(CC)c1ccccc1
InChIInChI=1S/C12H19N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3
InChIKeyHKQAOKJVAGNYCW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.05
Rot. Bonds4

About 3-phenylhexan-3-amine

3-phenylhexan-3-amine (PubChem CID 60794511) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-phenylhexan-3-amine.

Molecular Properties

Compound Name3-phenylhexan-3-amine
PubChem CID60794511
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-phenylhexan-3-amine
SMILESCCCC(N)(CC)c1ccccc1
InChIInChI=1S/C12H19N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3
InChIKeyHKQAOKJVAGNYCW-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
2-amino-2-phenylpentan-1-ol
CID 61056433
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
1-(4-iodophenyl)-2-phenylpentan-2-amine
CID 65476853
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
1,1-diphenylpentan-1-amine
CID 10263654
1-(4-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 114853480
1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 103047860
4-phenyloct-1-yn-4-amine
CID 10845757
1,1-diphenylhexan-1-amine
CID 20568221
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457

Frequently Asked Questions

What is the IUPAC name of 3-phenylhexan-3-amine?
The IUPAC name of 3-phenylhexan-3-amine (CID 60794511) is 3-phenylhexan-3-amine.
What is the SMILES notation for 3-phenylhexan-3-amine?
The canonical SMILES for 3-phenylhexan-3-amine is CCCC(N)(CC)c1ccccc1.
What is the InChIKey of 3-phenylhexan-3-amine?
The InChIKey is HKQAOKJVAGNYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3.
What are the key properties of 3-phenylhexan-3-amine?
3-phenylhexan-3-amine has a molecular weight of 177.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylhexan-3-amine is sourced from PubChem (CID 60794511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).