1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol

C18H29NO2 — CID 103156475

IUPAC1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1cc(C)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C18H29NO2/c1-13-8-9-18(17(10-13)14(2)19-3)21-12-16(20)11-15-6-4-5-7-15/h8-10,14-16,19-20H,4-7,11-12H2,1-3H3
InChIKeyRDLWQPCXKXMNAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.60
Rot. Bonds7

About 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol

1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 103156475) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
PubChem CID103156475
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1cc(C)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C18H29NO2/c1-13-8-9-18(17(10-13)14(2)19-3)21-12-16(20)11-15-6-4-5-7-15/h8-10,14-16,19-20H,4-7,11-12H2,1-3H3
InChIKeyRDLWQPCXKXMNAW-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
N-cyclopropyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 62628086
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol (CID 103156475) is 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol is CNC(C)c1cc(C)ccc1OCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is RDLWQPCXKXMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-8-9-18(17(10-13)14(2)19-3)21-12-16(20)11-15-6-4-5-7-15/h8-10,14-16,19-20H,4-7,11-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 103156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).