N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine

C16H25FN2 — CID 64750042

IUPACN'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(N(CCCN)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-13-7-9-14(10-8-13)19(12-4-11-18)16-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12,18H2,1H3
InChIKeyBSRGXKAIGLQHIP-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds5

About N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine

N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 64750042) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID64750042
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(N(CCCN)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-13-7-9-14(10-8-13)19(12-4-11-18)16-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12,18H2,1H3
InChIKeyBSRGXKAIGLQHIP-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 64749659
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 63936019
N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 60870635
2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
CID 102874536
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 64750042) is N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine is CC1CCC(N(CCCN)c2ccccc2F)CC1.
What is the InChIKey of N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is BSRGXKAIGLQHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-7-9-14(10-8-13)19(12-4-11-18)16-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12,18H2,1H3.
What are the key properties of N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine?
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 64750042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).