3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine

C16H25FN2 — CID 114831771

IUPAC3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
SMILESCC1CCC(NC(C)(CN)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2/c1-12-6-7-15(8-12)19-16(2,11-18)10-13-4-3-5-14(17)9-13/h3-5,9,12,15,19H,6-8,10-11,18H2,1-2H3
InChIKeyDAEKMXSLCCRCGK-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.86
Rot. Bonds5

About 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine

3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine (PubChem CID 114831771) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
PubChem CID114831771
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
SMILESCC1CCC(NC(C)(CN)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2/c1-12-6-7-15(8-12)19-16(2,11-18)10-13-4-3-5-14(17)9-13/h3-5,9,12,15,19H,6-8,10-11,18H2,1-2H3
InChIKeyDAEKMXSLCCRCGK-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831536
3-(3-fluorophenyl)-2-methyl-2-N-pent-3-ynylpropane-1,2-diamine
CID 114831761
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine (CID 114831771) is 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine is CC1CCC(NC(C)(CN)Cc2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
The InChIKey is DAEKMXSLCCRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-6-7-15(8-12)19-16(2,11-18)10-13-4-3-5-14(17)9-13/h3-5,9,12,15,19H,6-8,10-11,18H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine?
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine is sourced from PubChem (CID 114831771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).