2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol

C18H29NO — CID 63631981

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-6-15-9-11-17(12-10-15)18(20)14-19(2)13-16-7-4-5-8-16/h9-12,16,18,20H,3-8,13-14H2,1-2H3
InChIKeyNJWCHUNUJJSGQS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.79
Rot. Bonds7

About 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol

2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol (PubChem CID 63631981) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
PubChem CID63631981
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-6-15-9-11-17(12-10-15)18(20)14-19(2)13-16-7-4-5-8-16/h9-12,16,18,20H,3-8,13-14H2,1-2H3
InChIKeyNJWCHUNUJJSGQS-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol (CID 63631981) is 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN(C)CC2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The InChIKey is NJWCHUNUJJSGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-6-15-9-11-17(12-10-15)18(20)14-19(2)13-16-7-4-5-8-16/h9-12,16,18,20H,3-8,13-14H2,1-2H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63631981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).