1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine

C17H27FN2O — CID 79059390

IUPAC1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2ccc(OC)c(F)c2)CCCC1
InChIInChI=1S/C17H27FN2O/c1-4-20(5-2)17(10-6-7-11-17)16(19)13-8-9-15(21-3)14(18)12-13/h8-9,12,16H,4-7,10-11,19H2,1-3H3
InChIKeyHXLKIJKWZSHWLU-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.49
Rot. Bonds6

About 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79059390) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79059390
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2ccc(OC)c(F)c2)CCCC1
InChIInChI=1S/C17H27FN2O/c1-4-20(5-2)17(10-6-7-11-17)16(19)13-8-9-15(21-3)14(18)12-13/h8-9,12,16H,4-7,10-11,19H2,1-3H3
InChIKeyHXLKIJKWZSHWLU-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
CID 79069796
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine (CID 79059390) is 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)c2ccc(OC)c(F)c2)CCCC1.
What is the InChIKey of 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is HXLKIJKWZSHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-20(5-2)17(10-6-7-11-17)16(19)13-8-9-15(21-3)14(18)12-13/h8-9,12,16H,4-7,10-11,19H2,1-3H3.
What are the key properties of 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79059390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).