N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

C18H28FN — CID 65086258

IUPACN-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-14(2)16-6-4-8-18(10-9-16)20-12-11-15-5-3-7-17(19)13-15/h3,5,7,13-14,16,18,20H,4,6,8-12H2,1-2H3
InChIKeyWBXNFPNSYHFOIM-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.56
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086258) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086258
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-14(2)16-6-4-8-18(10-9-16)20-12-11-15-5-3-7-17(19)13-15/h3,5,7,13-14,16,18,20H,4,6,8-12H2,1-2H3
InChIKeyWBXNFPNSYHFOIM-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-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-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448621
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (CID 65086258) is N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCCc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is WBXNFPNSYHFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-14(2)16-6-4-8-18(10-9-16)20-12-11-15-5-3-7-17(19)13-15/h3,5,7,13-14,16,18,20H,4,6,8-12H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).