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

C15H22FN — CID 66026247

IUPACN-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-14(2,3)17-11-15(7-8-15)10-12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyYWLSTTGKCXKIFL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds4

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

N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 66026247) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID66026247
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-14(2,3)17-11-15(7-8-15)10-12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyYWLSTTGKCXKIFL-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(3-fluorophenyl)methyl]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)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026023
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-[[3-[(3-fluorophenyl)methyl]-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55209221
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (CID 66026247) is N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YWLSTTGKCXKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-14(2,3)17-11-15(7-8-15)10-12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66026247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).