2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol

C17H27NO3 — CID 111469318

IUPAC2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(CNCC2CCCC2O)c1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-17-14(7-5-9-16(17)20-3)11-18-10-13-6-4-8-15(13)19/h5,7,9,12-13,15,18-19H,4,6,8,10-11H2,1-3H3
InChIKeyCIEDUEAIKKUHRR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds7

About 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol

2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 111469318) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID111469318
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(CNCC2CCCC2O)c1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-17-14(7-5-9-16(17)20-3)11-18-10-13-6-4-8-15(13)19/h5,7,9,12-13,15,18-19H,4,6,8,10-11H2,1-3H3
InChIKeyCIEDUEAIKKUHRR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63056436
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653
4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol (CID 111469318) is 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol is COc1cccc(CNCC2CCCC2O)c1OC(C)C.
What is the InChIKey of 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CIEDUEAIKKUHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)21-17-14(7-5-9-16(17)20-3)11-18-10-13-6-4-8-15(13)19/h5,7,9,12-13,15,18-19H,4,6,8,10-11H2,1-3H3.
What are the key properties of 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol?
2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111469318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).