N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine

C18H28FNO — CID 105374330

IUPACN-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C1(OC)CCCC1
InChIInChI=1S/C18H28FNO/c1-4-11-20-17(18(21-3)9-5-6-10-18)13-15-12-16(19)8-7-14(15)2/h7-8,12,17,20H,4-6,9-11,13H2,1-3H3
InChIKeyBAGYWLNYKGCRBL-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine

N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine (PubChem CID 105374330) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
PubChem CID105374330
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)C1(OC)CCCC1
InChIInChI=1S/C18H28FNO/c1-4-11-20-17(18(21-3)9-5-6-10-18)13-15-12-16(19)8-7-14(15)2/h7-8,12,17,20H,4-6,9-11,13H2,1-3H3
InChIKeyBAGYWLNYKGCRBL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 105374194
N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine (CID 105374330) is N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1C)C1(OC)CCCC1.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine?
The InChIKey is BAGYWLNYKGCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-11-20-17(18(21-3)9-5-6-10-18)13-15-12-16(19)8-7-14(15)2/h7-8,12,17,20H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine?
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 105374330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).