cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine

C13H19N — CID 44282081

IUPACcis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@](C1)(C2=CC=CC=C2)N
InChIInChI=1S/C13H19N/c1-11-6-5-9-13(14,10-11)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyPEKJOQVJCNMUBH-AAEUAGOBSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds1

About cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine

cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine (PubChem CID 44282081) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine
PubChem CID44282081
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Namecis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@](C1)(C2=CC=CC=C2)N
InChIInChI=1S/C13H19N/c1-11-6-5-9-13(14,10-11)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyPEKJOQVJCNMUBH-AAEUAGOBSA-N
XLogP2.80
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity184

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phentermine
CID 4771
Phentermine Hydrochloride
CID 70969
1-Phenylcyclohexylamine
CID 31862
N-ethyl-1-phenylcyclohexanamine
CID 16622
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
Pentorex
CID 22031
Tritylamine
CID 138598
1,2-Diphenylethylamine
CID 26482
Cyclohexylamine, N,N-dimethyl-1-phenyl-
CID 137487
N-Methyl-1-phenylcyclohexylamine
CID 262910
1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine?
The IUPAC name of cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine (CID 44282081) is cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine is C[C@H]1CCC[C@](C1)(C2=CC=CC=C2)N.
What is the InChIKey of cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine?
The InChIKey is PEKJOQVJCNMUBH-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19N/c1-11-6-5-9-13(14,10-11)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3/t11-,13-/m0/s1.
What are the key properties of cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine?
cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-methyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 44282081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).