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

C15H24FN — CID 66242392

IUPAC2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(c1ccccc1F)C(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-14(12(3)4)13-7-5-6-8-15(13)16/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyRNRQSTUGOBWNRU-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.81
Rot. Bonds6

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

2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 66242392) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID66242392
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(c1ccccc1F)C(C)C
InChIInChI=1S/C15H24FN/c1-11(2)9-17-10-14(12(3)4)13-7-5-6-8-15(13)16/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyRNRQSTUGOBWNRU-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-fluorophenyl)-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

N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 104819491
1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
CID 79019767
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
CID 112680293
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 79435475

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 66242392) is 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(c1ccccc1F)C(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is RNRQSTUGOBWNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)9-17-10-14(12(3)4)13-7-5-6-8-15(13)16/h5-8,11-12,14,17H,9-10H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66242392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).