N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine

C18H29NO2 — CID 63828165

IUPACN-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCOC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-15(14-16-8-6-7-11-18(16)20-2)19-12-13-21-17-9-4-3-5-10-17/h6-8,11,15,17,19H,3-5,9-10,12-14H2,1-2H3
InChIKeyTWBCSOLVKUCZLA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.57
Rot. Bonds8

About N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine

N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 63828165) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
PubChem CID63828165
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCOC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-15(14-16-8-6-7-11-18(16)20-2)19-12-13-21-17-9-4-3-5-10-17/h6-8,11,15,17,19H,3-5,9-10,12-14H2,1-2H3
InChIKeyTWBCSOLVKUCZLA-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43768273
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-(2-cycloheptyloxyethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111576248
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine (CID 63828165) is N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is TWBCSOLVKUCZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(14-16-8-6-7-11-18(16)20-2)19-12-13-21-17-9-4-3-5-10-17/h6-8,11,15,17,19H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine?
N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63828165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).