2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol

C18H29NO2 — CID 60696695

IUPAC2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
SMILESCc1cccc(OCCCN(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-16-7-5-10-18(15-16)21-14-6-11-19(12-13-20)17-8-3-2-4-9-17/h5,7,10,15,17,20H,2-4,6,8-9,11-14H2,1H3
InChIKeyWYNUCYLLWSASIW-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.39
Rot. Bonds8

About 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol

2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol (PubChem CID 60696695) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
PubChem CID60696695
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
SMILESCc1cccc(OCCCN(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-16-7-5-10-18(15-16)21-14-6-11-19(12-13-20)17-8-3-2-4-9-17/h5,7,10,15,17,20H,2-4,6,8-9,11-14H2,1H3
InChIKeyWYNUCYLLWSASIW-UHFFFAOYSA-N
XLogP3.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.39
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

3-[3-[cyclobutyl(2-hydroxyethyl)amino]propoxy]benzonitrile
CID 102676503
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
3-[2-[cyclobutyl(3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 102863854
3-[3-[cyclopentyl(ethyl)amino]propoxy]benzoic acid
CID 63066891
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
3-[3-[cyclopentyl(ethyl)amino]propoxy]benzenecarbothioamide
CID 43541155
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol (CID 60696695) is 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol is Cc1cccc(OCCCN(CCO)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol?
The InChIKey is WYNUCYLLWSASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16-7-5-10-18(15-16)21-14-6-11-19(12-13-20)17-8-3-2-4-9-17/h5,7,10,15,17,20H,2-4,6,8-9,11-14H2,1H3.
What are the key properties of 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol?
2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol has a molecular weight of 291.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol is sourced from PubChem (CID 60696695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).