3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine

C12H17FN2 — CID 79462820

IUPAC3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)cc1F
InChIInChI=1S/C12H17FN2/c1-8-2-4-11(7-12(8)13)15-10-5-3-9(14)6-10/h2,4,7,9-10,15H,3,5-6,14H2,1H3
InChIKeyPZAKIKNNKIVUNS-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.43
Rot. Bonds2

About 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine

3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine (PubChem CID 79462820) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
PubChem CID79462820
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)cc1F
InChIInChI=1S/C12H17FN2/c1-8-2-4-11(7-12(8)13)15-10-5-3-9(14)6-10/h2,4,7,9-10,15H,3,5-6,14H2,1H3
InChIKeyPZAKIKNNKIVUNS-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
CID 81260171
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine (CID 79462820) is 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine is Cc1ccc(NC2CCC(N)C2)cc1F.
What is the InChIKey of 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine?
The InChIKey is PZAKIKNNKIVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-2-4-11(7-12(8)13)15-10-5-3-9(14)6-10/h2,4,7,9-10,15H,3,5-6,14H2,1H3.
What are the key properties of 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine?
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine has a molecular weight of 208.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).