3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol

C18H29NO — CID 65187996

IUPAC3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14-9-11-15(12-10-14)17(13-19)18(20)16-7-5-3-2-4-6-8-16/h9-12,16-18,20H,2-8,13,19H2,1H3
InChIKeyGTHBVHTVTQZQGW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds4

About 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol

3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol (PubChem CID 65187996) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
PubChem CID65187996
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14-9-11-15(12-10-14)17(13-19)18(20)16-7-5-3-2-4-6-8-16/h9-12,16-18,20H,2-8,13,19H2,1H3
InChIKeyGTHBVHTVTQZQGW-UHFFFAOYSA-N
XLogP3.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
CID 107185349
3-amino-2-(4-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65186501
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol (CID 65187996) is 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)C2CCCCCCC2)cc1.
What is the InChIKey of 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol?
The InChIKey is GTHBVHTVTQZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-9-11-15(12-10-14)17(13-19)18(20)16-7-5-3-2-4-6-8-16/h9-12,16-18,20H,2-8,13,19H2,1H3.
What are the key properties of 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol?
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65187996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).