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

C15H23FN2 — CID 65070357

IUPACN-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCCc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-18-10-3-6-15(8-11-18)17-9-7-13-4-2-5-14(16)12-13/h2,4-5,12,15,17H,3,6-11H2,1H3
InChIKeyWMTMDTUJEMNASY-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.44
Rot. Bonds4

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

N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine (PubChem CID 65070357) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
PubChem CID65070357
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCCc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-18-10-3-6-15(8-11-18)17-9-7-13-4-2-5-14(16)12-13/h2,4-5,12,15,17H,3,6-11H2,1H3
InChIKeyWMTMDTUJEMNASY-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111395721
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine (CID 65070357) is N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine is CN1CCCC(NCCc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine?
The InChIKey is WMTMDTUJEMNASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18-10-3-6-15(8-11-18)17-9-7-13-4-2-5-14(16)12-13/h2,4-5,12,15,17H,3,6-11H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine?
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).