N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine

C14H22FN — CID 64570448

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCc1cc(F)ccc1CNCC(C)C(C)C
InChIInChI=1S/C14H22FN/c1-10(2)12(4)8-16-9-13-5-6-14(15)7-11(13)3/h5-7,10,12,16H,8-9H2,1-4H3
InChIKeyKJTCUYVTUFMTRR-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570448) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570448
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCc1cc(F)ccc1CNCC(C)C(C)C
InChIInChI=1S/C14H22FN/c1-10(2)12(4)8-16-9-13-5-6-14(15)7-11(13)3/h5-7,10,12,16H,8-9H2,1-4H3
InChIKeyKJTCUYVTUFMTRR-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-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

(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
4-bromo-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-2-amine
CID 114349186
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111468002
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65048786
N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 62134218

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64570448) is N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine is Cc1cc(F)ccc1CNCC(C)C(C)C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is KJTCUYVTUFMTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)12(4)8-16-9-13-5-6-14(15)7-11(13)3/h5-7,10,12,16H,8-9H2,1-4H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).