(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C15H22FN — CID 11920641

IUPAC(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t11-,12-,15-/m1/s1
InChIKeyJTGROXQGIAWPOE-LALPHHSUSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds3

About (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 11920641) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID11920641
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t11-,12-,15-/m1/s1
InChIKeyJTGROXQGIAWPOE-LALPHHSUSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
1-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 24501815
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774535
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 79984316

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 11920641) is (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is C[C@@H]1[C@H](C)CCC[C@H]1NCc1ccc(F)cc1.
What is the InChIKey of (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is JTGROXQGIAWPOE-LALPHHSUSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3/t11-,12-,15-/m1/s1.
What are the key properties of (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 11920641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).