trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H22FNO — CID 791642

IUPACtrans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCO[C@@H]1CCCC[C@H]1NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-18-15-5-3-2-4-14(15)17-11-10-12-6-8-13(16)9-7-12/h6-9,14-15,17H,2-5,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyQEYYWHAWYAVLKO-HUUCEWRRSA-N
MW251.34 g/mol
LogP2.92
Rot. Bonds5

About trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 791642) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID791642
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Nametrans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCO[C@@H]1CCCC[C@H]1NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-18-15-5-3-2-4-14(15)17-11-10-12-6-8-13(16)9-7-12/h6-9,14-15,17H,2-5,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyQEYYWHAWYAVLKO-HUUCEWRRSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739931
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 791642) is trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is CO[C@@H]1CCCC[C@H]1NCCc1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is QEYYWHAWYAVLKO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-15-5-3-2-4-14(15)17-11-10-12-6-8-13(16)9-7-12/h6-9,14-15,17H,2-5,10-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 791642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).