2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol

C17H27NO3 — CID 63056436

IUPAC2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCOc1cccc(CNCC(C)C)c1OC1CCCC1O
InChIInChI=1S/C17H27NO3/c1-12(2)10-18-11-13-6-4-9-16(20-3)17(13)21-15-8-5-7-14(15)19/h4,6,9,12,14-15,18-19H,5,7-8,10-11H2,1-3H3
InChIKeyDAPWFPUYXXQFJY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol

2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol (PubChem CID 63056436) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
PubChem CID63056436
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCOc1cccc(CNCC(C)C)c1OC1CCCC1O
InChIInChI=1S/C17H27NO3/c1-12(2)10-18-11-13-6-4-9-16(20-3)17(13)21-15-8-5-7-14(15)19/h4,6,9,12,14-15,18-19H,5,7-8,10-11H2,1-3H3
InChIKeyDAPWFPUYXXQFJY-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

Analyze 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol with MolForge

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Related Compounds

2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111469318
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057775
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol (CID 63056436) is 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol is COc1cccc(CNCC(C)C)c1OC1CCCC1O.
What is the InChIKey of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol?
The InChIKey is DAPWFPUYXXQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)10-18-11-13-6-4-9-16(20-3)17(13)21-15-8-5-7-14(15)19/h4,6,9,12,14-15,18-19H,5,7-8,10-11H2,1-3H3.
What are the key properties of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol?
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]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-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 63056436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).