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

C14H21FN2 — CID 65383732

IUPACN-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NC2CCCC2)cc1F
InChIInChI=1S/C14H21FN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3
InChIKeyYRHOFTKDCSIQMN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.67
Rot. Bonds4

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

N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine (PubChem CID 65383732) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
PubChem CID65383732
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NC2CCCC2)cc1F
InChIInChI=1S/C14H21FN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3
InChIKeyYRHOFTKDCSIQMN-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544888
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine (CID 65383732) is N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)NC2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is YRHOFTKDCSIQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3.
What are the key properties of N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).