3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol

C18H29NO2 — CID 135168970

IUPAC3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
SMILESCN(C)C(O)CCc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-19(2)18(20)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-10,13,16,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyAQSXZMKHGXFWLP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.46
Rot. Bonds7

About 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol

3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol (PubChem CID 135168970) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
PubChem CID135168970
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
SMILESCN(C)C(O)CCc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-19(2)18(20)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-10,13,16,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyAQSXZMKHGXFWLP-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
CID 58027630
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol?
The IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol (CID 135168970) is 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol is CN(C)C(O)CCc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol?
The InChIKey is AQSXZMKHGXFWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-19(2)18(20)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-10,13,16,18,20H,3-5,7-8,11-12,14H2,1-2H3.
What are the key properties of 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol?
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol is sourced from PubChem (CID 135168970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).