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

C14H21FN2O — CID 114839107

IUPAC1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NC(CN)C2CCCC2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-18-14-8-11(6-7-12(14)15)17-13(9-16)10-4-2-3-5-10/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyNSYDDXGVBRQGBX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.76
Rot. Bonds5

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

1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 114839107) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
PubChem CID114839107
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NC(CN)C2CCCC2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-18-14-8-11(6-7-12(14)15)17-13(9-16)10-4-2-3-5-10/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyNSYDDXGVBRQGBX-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
CID 114839130
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 114838689

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (CID 114839107) is 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is COc1cc(NC(CN)C2CCCC2)ccc1F.
What is the InChIKey of 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is NSYDDXGVBRQGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14-8-11(6-7-12(14)15)17-13(9-16)10-4-2-3-5-10/h6-8,10,13,17H,2-5,9,16H2,1H3.
What are the key properties of 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114839107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).