4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

C14H21FN2 — CID 116937261

IUPAC4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-4,9-10,13-14,17H,5-8,16H2,1H3
InChIKeyZQPSSRWFRDIYGQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.60
Rot. Bonds3

About 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116937261) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116937261
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-4,9-10,13-14,17H,5-8,16H2,1H3
InChIKeyZQPSSRWFRDIYGQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 116937261) is 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(N)c2cccc(F)c2)CC1.
What is the InChIKey of 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is ZQPSSRWFRDIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-4,9-10,13-14,17H,5-8,16H2,1H3.
What are the key properties of 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).