N-tert-butyl-3-methyl-4-phenylbutan-1-amine

C15H25N — CID 81018858

IUPACN-tert-butyl-3-methyl-4-phenylbutan-1-amine
SMILESCC(CCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-13(10-11-16-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyPYOIBFQYGJMMLW-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.64
Rot. Bonds5

About N-tert-butyl-3-methyl-4-phenylbutan-1-amine

N-tert-butyl-3-methyl-4-phenylbutan-1-amine (PubChem CID 81018858) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-4-phenylbutan-1-amine
PubChem CID81018858
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-tert-butyl-3-methyl-4-phenylbutan-1-amine
SMILESCC(CCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-13(10-11-16-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyPYOIBFQYGJMMLW-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
1-phenyl-N-(2-phenylpropan-2-yl)propan-2-amine
CID 22460109
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
CID 81012209
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
ethane;2-methylheptylbenzene
CID 142204161
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
4-(4-bromo-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 81019454

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-4-phenylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-4-phenylbutan-1-amine (CID 81018858) is N-tert-butyl-3-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-4-phenylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-4-phenylbutan-1-amine is CC(CCNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-tert-butyl-3-methyl-4-phenylbutan-1-amine?
The InChIKey is PYOIBFQYGJMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(10-11-16-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3.
What are the key properties of N-tert-butyl-3-methyl-4-phenylbutan-1-amine?
N-tert-butyl-3-methyl-4-phenylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 81018858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).