2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine

C15H25N — CID 115887797

IUPAC2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
SMILESCCC(C)CNC(C)C(C)c1ccccc1
InChIInChI=1S/C15H25N/c1-5-12(2)11-16-14(4)13(3)15-9-7-6-8-10-15/h6-10,12-14,16H,5,11H2,1-4H3
InChIKeyDZSNULCOHPLIGJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.81
Rot. Bonds6

About 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine

2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine (PubChem CID 115887797) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
PubChem CID115887797
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
SMILESCCC(C)CNC(C)C(C)c1ccccc1
InChIInChI=1S/C15H25N/c1-5-12(2)11-16-14(4)13(3)15-9-7-6-8-10-15/h6-10,12-14,16H,5,11H2,1-4H3
InChIKeyDZSNULCOHPLIGJ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1S)-1-phenylethyl]butan-1-amine;(1S)-1-phenylethanamine
CID 167591291
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
N-(2-methylsulfanylethyl)-3-phenylbutan-2-amine
CID 115706156
N-chloro-3-phenylbutan-2-amine
CID 89161860
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
CID 103871716

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine (CID 115887797) is 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine is CCC(C)CNC(C)C(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine?
The InChIKey is DZSNULCOHPLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-12(2)11-16-14(4)13(3)15-9-7-6-8-10-15/h6-10,12-14,16H,5,11H2,1-4H3.
What are the key properties of 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine?
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 115887797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).