2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol

C17H27NO2 — CID 82314327

IUPAC2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(C(O)C(NC2CCCC2)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)16(18-14-8-4-5-9-14)17(19)13-7-6-10-15(11-13)20-3/h6-7,10-12,14,16-19H,4-5,8-9H2,1-3H3
InChIKeyLWKHUOLBEIUJTN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds6

About 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol

2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 82314327) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID82314327
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(C(O)C(NC2CCCC2)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)16(18-14-8-4-5-9-14)17(19)13-7-6-10-15(11-13)20-3/h6-7,10-12,14,16-19H,4-5,8-9H2,1-3H3
InChIKeyLWKHUOLBEIUJTN-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
CID 158360272
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314314
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol (CID 82314327) is 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol is COc1cccc(C(O)C(NC2CCCC2)C(C)C)c1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is LWKHUOLBEIUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)16(18-14-8-4-5-9-14)17(19)13-7-6-10-15(11-13)20-3/h6-7,10-12,14,16-19H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82314327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).