(3R)-1-phenylhexan-3-amine

C12H19N — CID 66612996

IUPAC(3R)-1-phenylhexan-3-amine
SMILESCCC[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,13H2,1H3/t12-/m1/s1
InChIKeyVPRXVPWWCRIOJJ-GFCCVEGCSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds5

About (3R)-1-phenylhexan-3-amine

(3R)-1-phenylhexan-3-amine (PubChem CID 66612996) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3R)-1-phenylhexan-3-amine.

Molecular Properties

Compound Name(3R)-1-phenylhexan-3-amine
PubChem CID66612996
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3R)-1-phenylhexan-3-amine
SMILESCCC[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,13H2,1H3/t12-/m1/s1
InChIKeyVPRXVPWWCRIOJJ-GFCCVEGCSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenylpentane-1,3-diamine
CID 68702978
1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
CID 70640715
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-phenyloctan-4-amine
CID 79413314
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
1,4-diphenylbutan-2-amine
CID 60820174
1-pyridin-3-ylhexan-3-amine
CID 64506028
6-phenylhexane-1,4-diamine
CID 23163544
1-[3-(2-methylpropyl)phenyl]hexan-3-amine
CID 116545725
2-amino-4-phenylbutan-1-ol
CID 159249603
ethane;ethylbenzene;hexan-3-amine
CID 143182014

Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenylhexan-3-amine?
The IUPAC name of (3R)-1-phenylhexan-3-amine (CID 66612996) is (3R)-1-phenylhexan-3-amine.
What is the SMILES notation for (3R)-1-phenylhexan-3-amine?
The canonical SMILES for (3R)-1-phenylhexan-3-amine is CCC[C@@H](N)CCc1ccccc1.
What is the InChIKey of (3R)-1-phenylhexan-3-amine?
The InChIKey is VPRXVPWWCRIOJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,13H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-phenylhexan-3-amine?
(3R)-1-phenylhexan-3-amine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenylhexan-3-amine is sourced from PubChem (CID 66612996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).