(1S)-4-methyl-1-phenylpentan-1-amine

C12H19N — CID 28780030

IUPAC(1S)-4-methyl-1-phenylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyIEGVLAUQRYYJJV-LBPRGKRZSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds4

About (1S)-4-methyl-1-phenylpentan-1-amine

(1S)-4-methyl-1-phenylpentan-1-amine (PubChem CID 28780030) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1S)-4-methyl-1-phenylpentan-1-amine.

Molecular Properties

Compound Name(1S)-4-methyl-1-phenylpentan-1-amine
PubChem CID28780030
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1S)-4-methyl-1-phenylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyIEGVLAUQRYYJJV-LBPRGKRZSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
2-(3-methylbutylsulfanyl)-1-phenylethanamine
CID 107754777
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
3-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171218072
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-phenylpentan-1-amine?
The IUPAC name of (1S)-4-methyl-1-phenylpentan-1-amine (CID 28780030) is (1S)-4-methyl-1-phenylpentan-1-amine.
What is the SMILES notation for (1S)-4-methyl-1-phenylpentan-1-amine?
The canonical SMILES for (1S)-4-methyl-1-phenylpentan-1-amine is CC(C)CC[C@H](N)c1ccccc1.
What is the InChIKey of (1S)-4-methyl-1-phenylpentan-1-amine?
The InChIKey is IEGVLAUQRYYJJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-4-methyl-1-phenylpentan-1-amine?
(1S)-4-methyl-1-phenylpentan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-phenylpentan-1-amine is sourced from PubChem (CID 28780030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).