(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine

C17H27N — CID 51526703

IUPAC(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H27N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m1/s1
InChIKeyMLMBMVNMNOMISQ-OAHLLOKOSA-N
MW245.41 g/mol
LogP4.18
Rot. Bonds6

About (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine (PubChem CID 51526703) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
PubChem CID51526703
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H27N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m1/s1
InChIKeyMLMBMVNMNOMISQ-OAHLLOKOSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine (CID 51526703) is (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine is C[C@H](CCc1ccccc1)NCC1CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine?
The InChIKey is MLMBMVNMNOMISQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine?
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 51526703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).