1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol

C17H27NO3 — CID 111114436

IUPAC1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCC2)c(OC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)21-16-10-15(20-3)7-6-14(16)11-18-12-17(19)8-4-5-9-17/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyBAKWHKOLSZXGKT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds7

About 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol

1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 111114436) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID111114436
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCC2)c(OC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)21-16-10-15(20-3)7-6-14(16)11-18-12-17(19)8-4-5-9-17/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyBAKWHKOLSZXGKT-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696225
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267384
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol (CID 111114436) is 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol is COc1ccc(CNCC2(O)CCCC2)c(OC(C)C)c1.
What is the InChIKey of 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BAKWHKOLSZXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)21-16-10-15(20-3)7-6-14(16)11-18-12-17(19)8-4-5-9-17/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111114436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).