N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine

C17H27NO — CID 43765298

IUPACN-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
SMILESCCOCCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-19-14-8-13-18-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3
InChIKeyHRBJFKPNDIRWSY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds7

About N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine

N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine (PubChem CID 43765298) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
PubChem CID43765298
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
SMILESCCOCCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-19-14-8-13-18-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3
InChIKeyHRBJFKPNDIRWSY-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine (CID 43765298) is N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine is CCOCCCNC1CCCCC1c1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine?
The InChIKey is HRBJFKPNDIRWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-19-14-8-13-18-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine?
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 43765298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).