N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

C14H20FN — CID 62595883

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c1-13(2,3)16-10-14(7-8-14)11-5-4-6-12(15)9-11/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyDBRQKYAIQWJGSE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.25
Rot. Bonds3

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62595883) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62595883
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c1-13(2,3)16-10-14(7-8-14)11-5-4-6-12(15)9-11/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyDBRQKYAIQWJGSE-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-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-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62903683
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506642
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 62595883) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DBRQKYAIQWJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-13(2,3)16-10-14(7-8-14)11-5-4-6-12(15)9-11/h4-6,9,16H,7-8,10H2,1-3H3.
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).