(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine

C15H25N — CID 94682877

IUPAC(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-13(4)16-11-15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyIDCGRJUCLBQFBK-CYBMUJFWSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds6

About (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine

(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine (PubChem CID 94682877) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
PubChem CID94682877
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-13(4)16-11-15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyIDCGRJUCLBQFBK-CYBMUJFWSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97053957
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
CID 21355581

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine?
The IUPAC name of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine (CID 94682877) is (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine is CC[C@@H](C)NCc1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine?
The InChIKey is IDCGRJUCLBQFBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N/c1-5-13(4)16-11-15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine?
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 94682877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).