N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine

C14H19F2N — CID 113404857

IUPACN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC1C
InChIInChI=1S/C14H19F2N/c1-3-4-17-9-14(8-10(14)2)11-5-12(15)7-13(16)6-11/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyOFLPBTDPBUSTPD-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.24
Rot. Bonds5

About N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine

N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine (PubChem CID 113404857) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
PubChem CID113404857
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC1C
InChIInChI=1S/C14H19F2N/c1-3-4-17-9-14(8-10(14)2)11-5-12(15)7-13(16)6-11/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyOFLPBTDPBUSTPD-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-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-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
CID 113404860
N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65011198
N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
CID 65014884
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
CID 64999135
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine (CID 113404857) is N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine is CCCNCC1(c2cc(F)cc(F)c2)CC1C.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The InChIKey is OFLPBTDPBUSTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-4-17-9-14(8-10(14)2)11-5-12(15)7-13(16)6-11/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 113404857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).