N,2,3-trimethyl-4-phenylbutan-1-amine

C13H21N — CID 81016315

IUPACN,2,3-trimethyl-4-phenylbutan-1-amine
SMILESCNCC(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-11(12(2)10-14-3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeySFDGAODKMPVNAW-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.72
Rot. Bonds5

About N,2,3-trimethyl-4-phenylbutan-1-amine

N,2,3-trimethyl-4-phenylbutan-1-amine (PubChem CID 81016315) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,2,3-trimethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-4-phenylbutan-1-amine
PubChem CID81016315
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,2,3-trimethyl-4-phenylbutan-1-amine
SMILESCNCC(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-11(12(2)10-14-3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeySFDGAODKMPVNAW-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbutylbenzene
CID 12054035
(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 54262187
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
N-ethyl-2,4-dimethyl-1-phenylpentan-3-amine
CID 79299268
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2-benzyl-3-methylbutyl)benzene
CID 22277918
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
CID 79304006
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-4-phenylbutan-1-amine?
The IUPAC name of N,2,3-trimethyl-4-phenylbutan-1-amine (CID 81016315) is N,2,3-trimethyl-4-phenylbutan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-4-phenylbutan-1-amine?
The canonical SMILES for N,2,3-trimethyl-4-phenylbutan-1-amine is CNCC(C)C(C)Cc1ccccc1.
What is the InChIKey of N,2,3-trimethyl-4-phenylbutan-1-amine?
The InChIKey is SFDGAODKMPVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(12(2)10-14-3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3.
What are the key properties of N,2,3-trimethyl-4-phenylbutan-1-amine?
N,2,3-trimethyl-4-phenylbutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 81016315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).