(2S,4R)-4-(4-methylphenyl)pentan-2-amine

C12H19N — CID 11789769

IUPAC(2S,4R)-4-(4-methylphenyl)pentan-2-amine
SMILESCc1ccc([C@H](C)C[C@H](C)N)cc1
InChIInChI=1S/C12H19N/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3/t10-,11+/m1/s1
InChIKeyKMTNADUHSNQQQM-MNOVXSKESA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds3

About (2S,4R)-4-(4-methylphenyl)pentan-2-amine

(2S,4R)-4-(4-methylphenyl)pentan-2-amine (PubChem CID 11789769) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2S,4R)-4-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name(2S,4R)-4-(4-methylphenyl)pentan-2-amine
PubChem CID11789769
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2S,4R)-4-(4-methylphenyl)pentan-2-amine
SMILESCc1ccc([C@H](C)C[C@H](C)N)cc1
InChIInChI=1S/C12H19N/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3/t10-,11+/m1/s1
InChIKeyKMTNADUHSNQQQM-MNOVXSKESA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-phenylphenyl)pentan-2-amine
CID 65456648
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
4-pyridin-4-ylpentan-2-amine
CID 112714269
4-(3-methylphenyl)pentan-2-amine
CID 64719404
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
4-[(2S,4R)-4-(4-methylphenyl)pentan-2-yl]benzonitrile
CID 71129166
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-methylphenyl)pentan-2-amine?
The IUPAC name of (2S,4R)-4-(4-methylphenyl)pentan-2-amine (CID 11789769) is (2S,4R)-4-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for (2S,4R)-4-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for (2S,4R)-4-(4-methylphenyl)pentan-2-amine is Cc1ccc([C@H](C)C[C@H](C)N)cc1.
What is the InChIKey of (2S,4R)-4-(4-methylphenyl)pentan-2-amine?
The InChIKey is KMTNADUHSNQQQM-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19N/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-(4-methylphenyl)pentan-2-amine?
(2S,4R)-4-(4-methylphenyl)pentan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 11789769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).