1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine

C15H23FN2 — CID 55068971

IUPAC1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
SMILESCCC(Nc1cccc(F)c1N)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12(16)15(14)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3
InChIKeyKIYYFEKIYOXXPW-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.18
Rot. Bonds4

About 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine

1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine (PubChem CID 55068971) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
PubChem CID55068971
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
SMILESCCC(Nc1cccc(F)c1N)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12(16)15(14)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3
InChIKeyKIYYFEKIYOXXPW-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
3-fluoro-1-N-(3-methylpentan-2-yl)benzene-1,2-diamine
CID 61463530
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
CID 62589796
2-amino-5-(1-cyclohexylpropylamino)-4-fluorobenzoic acid
CID 62405653
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
N-(1-cyclopropylpropyl)naphthalen-1-amine
CID 64919441
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine (CID 55068971) is 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine is CCC(Nc1cccc(F)c1N)C1CCCCC1.
What is the InChIKey of 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is KIYYFEKIYOXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12(16)15(14)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3.
What are the key properties of 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine?
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 55068971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).