2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

C16H26FN — CID 62530350

IUPAC2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FN/c1-12(2)10-18-11-15(13(3)4)9-14-7-5-6-8-16(14)17/h5-8,12-13,15,18H,9-11H2,1-4H3
InChIKeyHZLRSPFQUWIUTR-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.89
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62530350) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62530350
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FN/c1-12(2)10-18-11-15(13(3)4)9-14-7-5-6-8-16(14)17/h5-8,12-13,15,18H,9-11H2,1-4H3
InChIKeyHZLRSPFQUWIUTR-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-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

2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358
1-[2-(chloromethyl)-3-methylbutyl]-2-fluorobenzene
CID 66036123
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63520801
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62530350) is 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(Cc1ccccc1F)C(C)C.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HZLRSPFQUWIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)10-18-11-15(13(3)4)9-14-7-5-6-8-16(14)17/h5-8,12-13,15,18H,9-11H2,1-4H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62530350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).