N,N-dimethyl-1-phenylbutan-2-amine

C12H19N — CID 14527584

IUPACN,N-dimethyl-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C12H19N/c1-4-12(13(2)3)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
InChIKeyUCEMLHMTZWCTKW-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.57
Rot. Bonds4

About N,N-dimethyl-1-phenylbutan-2-amine

N,N-dimethyl-1-phenylbutan-2-amine (PubChem CID 14527584) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylbutan-2-amine
PubChem CID14527584
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,N-dimethyl-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C12H19N/c1-4-12(13(2)3)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
InChIKeyUCEMLHMTZWCTKW-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
1-benzyl-1-(1-phenylbutan-2-yl)hydrazine
CID 174862396
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
boric acid;tris(N,N-dimethyl-1-phenyltridecan-2-amine)
CID 173306733
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
2-ethylbutylbenzene;methane
CID 158777195

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylbutan-2-amine?
The IUPAC name of N,N-dimethyl-1-phenylbutan-2-amine (CID 14527584) is N,N-dimethyl-1-phenylbutan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylbutan-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenylbutan-2-amine is CCC(Cc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenylbutan-2-amine?
The InChIKey is UCEMLHMTZWCTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12(13(2)3)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-phenylbutan-2-amine?
N,N-dimethyl-1-phenylbutan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 14527584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).