2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine

C16H25FN2O — CID 102877791

IUPAC2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCN(Cc1ccc(OC)cc1F)C1CCCC1CN
InChIInChI=1S/C16H25FN2O/c1-3-19(16-6-4-5-12(16)10-18)11-13-7-8-14(20-2)9-15(13)17/h7-9,12,16H,3-6,10-11,18H2,1-2H3
InChIKeyBEOJMBDAGBVKHY-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.78
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine

2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 102877791) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID102877791
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCN(Cc1ccc(OC)cc1F)C1CCCC1CN
InChIInChI=1S/C16H25FN2O/c1-3-19(16-6-4-5-12(16)10-18)11-13-7-8-14(20-2)9-15(13)17/h7-9,12,16H,3-6,10-11,18H2,1-2H3
InChIKeyBEOJMBDAGBVKHY-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 102877277
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 79982572
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
2-N,2-diethyl-2-N-[(2-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 102876166
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
CID 79428075
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
3-[ethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propanethioamide
CID 102876762

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine (CID 102877791) is 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine is CCN(Cc1ccc(OC)cc1F)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is BEOJMBDAGBVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19(16-6-4-5-12(16)10-18)11-13-7-8-14(20-2)9-15(13)17/h7-9,12,16H,3-6,10-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine?
2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 102877791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).