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

C18H27F2N — CID 105411507

IUPACN-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-2-8-21-13-16-7-5-3-4-6-15(16)9-14-10-17(19)12-18(20)11-14/h10-12,15-16,21H,2-9,13H2,1H3
InChIKeyYESQENFUDVHYEA-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.70
Rot. Bonds6

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

N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 105411507) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
PubChem CID105411507
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-2-8-21-13-16-7-5-3-4-6-15(16)9-14-10-17(19)12-18(20)11-14/h10-12,15-16,21H,2-9,13H2,1H3
InChIKeyYESQENFUDVHYEA-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]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-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
N-[[2-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018355
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034707

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine (CID 105411507) is N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is YESQENFUDVHYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-8-21-13-16-7-5-3-4-6-15(16)9-14-10-17(19)12-18(20)11-14/h10-12,15-16,21H,2-9,13H2,1H3.
What are the key properties of N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 105411507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).