1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol

C22H37NO2 — CID 3803721

IUPAC1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1ccc(C(O)(CCN(C)C)C2CCCCC2)cc1
InChIInChI=1S/C22H37NO2/c1-4-5-9-18-25-21-14-12-20(13-15-21)22(24,16-17-23(2)3)19-10-7-6-8-11-19/h12-15,19,24H,4-11,16-18H2,1-3H3
InChIKeyFCOCMDJFHNPRQP-UHFFFAOYSA-N
MW347.54 g/mol
LogP4.98
Rot. Bonds10

About 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol

1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol (PubChem CID 3803721) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol
PubChem CID3803721
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1ccc(C(O)(CCN(C)C)C2CCCCC2)cc1
InChIInChI=1S/C22H37NO2/c1-4-5-9-18-25-21-14-12-20(13-15-21)22(24,16-17-23(2)3)19-10-7-6-8-11-19/h12-15,19,24H,4-11,16-18H2,1-3H3
InChIKeyFCOCMDJFHNPRQP-UHFFFAOYSA-N
XLogP4.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.98
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

1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
CID 19816182
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
1-cyclohexyl-4-heptoxybenzene
CID 56628106
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
1,4-dipentoxybenzene
CID 18314717
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol?
The IUPAC name of 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol (CID 3803721) is 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol?
The canonical SMILES for 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol is CCCCCOc1ccc(C(O)(CCN(C)C)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol?
The InChIKey is FCOCMDJFHNPRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-4-5-9-18-25-21-14-12-20(13-15-21)22(24,16-17-23(2)3)19-10-7-6-8-11-19/h12-15,19,24H,4-11,16-18H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol?
1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol has a molecular weight of 347.54 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol is sourced from PubChem (CID 3803721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).