1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

C15H23FN2O — CID 114544711

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCC(C)C2)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-3-5-12(7-10)18-14(9-17)11-4-6-15(19-2)13(16)8-11/h4,6,8,10,12,14,18H,3,5,7,9,17H2,1-2H3
InChIKeyNPVIBVUCWWYQMK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544711) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
PubChem CID114544711
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCC(C)C2)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-3-5-12(7-10)18-14(9-17)11-4-6-15(19-2)13(16)8-11/h4,6,8,10,12,14,18H,3,5,7,9,17H2,1-2H3
InChIKeyNPVIBVUCWWYQMK-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(4-Methoxyphenyl)ethylamine
CID 793467
1-(4-Methoxyphenyl)ethanamine
CID 238181
1-(4-methoxyphenyl)-N-methylmethanamine
CID 485407
2-(4-Methoxyphenyl)-1-methylpyrrolidine
CID 44386904
N-(4-methoxybenzyl)cyclohexanamine
CID 274796
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
4-methoxy-N-ethylamphetamine
CID 85725
1-((4-Methoxyphenyl)methyl)piperazine
CID 231905
Benzyl[(4-methoxyphenyl)methyl]amine
CID 738564
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533
(2-(Dimethylamino)ethyl)((4-methoxyphenyl)methyl)amine
CID 3154217
2-(4-Methoxyphenyl)-2-piperidin-1-ylethanamine
CID 3838116

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (CID 114544711) is 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine is COc1ccc(C(CN)NC2CCC(C)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The InChIKey is NPVIBVUCWWYQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-3-5-12(7-10)18-14(9-17)11-4-6-15(19-2)13(16)8-11/h4,6,8,10,12,14,18H,3,5,7,9,17H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).