1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

C14H20F2N2 — CID 115257137

IUPAC1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)(CNCC1(N)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-13(2,8-18-9-14(17)5-6-14)11-4-3-10(15)7-12(11)16/h3-4,7,18H,5-6,8-9,17H2,1-2H3
InChIKeyCXCSJHISISWRQP-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.32
Rot. Bonds5

About 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (PubChem CID 115257137) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
PubChem CID115257137
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)(CNCC1(N)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-13(2,8-18-9-14(17)5-6-14)11-4-3-10(15)7-12(11)16/h3-4,7,18H,5-6,8-9,17H2,1-2H3
InChIKeyCXCSJHISISWRQP-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-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

3-Fluoroethamphetamine
CID 57458869
3-(4-Fluorophenyl)-N-propylpropan-1-amine
CID 46906452
Phenethylamine, alpha,alpha-dimethyl-N-propyl-
CID 200033
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641127
(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641140
(2S)-3-methyl-2-N-[(1-phenylcyclopropyl)methyl]pentane-1,2-diamine
CID 44143134
1-(1-(3,4-difluorophenyl)cyclohexyl)-N-methylmethanamine
CID 53318452
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-(1-(3-fluorophenyl)cyclohexyl)-N-methylmethanamine
CID 58954951
N-[2-(2-fluorophenyl)cyclopropyl]piperidin-4-amine
CID 71522534
N-[2-(3,4-difluorophenyl)cyclopropyl]piperidin-4-amine
CID 71522535
US9670136, 31 N1-(2-(2-fluorophenyl)cyclopropyl)cyclohexane-1,4-diamine
CID 71553307

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (CID 115257137) is 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is CC(C)(CNCC1(N)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is CXCSJHISISWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-13(2,8-18-9-14(17)5-6-14)11-4-3-10(15)7-12(11)16/h3-4,7,18H,5-6,8-9,17H2,1-2H3.
What are the key properties of 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).