3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol

C18H29NO3 — CID 154247141

IUPAC3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CO)CNCC2CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-21-17-9-8-15(10-18(17)22-2)16(13-20)12-19-11-14-6-4-3-5-7-14/h8-10,14,16,19-20H,3-7,11-13H2,1-2H3
InChIKeyNCYWEWAZPGGTSP-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.95
Rot. Bonds8

About 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol

3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 154247141) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID154247141
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CO)CNCC2CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-21-17-9-8-15(10-18(17)22-2)16(13-20)12-19-11-14-6-4-3-5-7-14/h8-10,14,16,19-20H,3-7,11-13H2,1-2H3
InChIKeyNCYWEWAZPGGTSP-UHFFFAOYSA-N
XLogP2.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110307535
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol (CID 154247141) is 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(CO)CNCC2CCCCC2)cc1OC.
What is the InChIKey of 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is NCYWEWAZPGGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-21-17-9-8-15(10-18(17)22-2)16(13-20)12-19-11-14-6-4-3-5-7-14/h8-10,14,16,19-20H,3-7,11-13H2,1-2H3.
What are the key properties of 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol?
3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 154247141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).