5-amino-2-(4-propylphenyl)octan-4-ol

C17H29NO — CID 83921589

IUPAC5-amino-2-(4-propylphenyl)octan-4-ol
SMILESCCCc1ccc(C(C)CC(O)C(N)CCC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-14-8-10-15(11-9-14)13(3)12-17(19)16(18)7-5-2/h8-11,13,16-17,19H,4-7,12,18H2,1-3H3
InChIKeyKEYSEVLUVLJSMI-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.62
Rot. Bonds8

About 5-amino-2-(4-propylphenyl)octan-4-ol

5-amino-2-(4-propylphenyl)octan-4-ol (PubChem CID 83921589) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-amino-2-(4-propylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(4-propylphenyl)octan-4-ol
PubChem CID83921589
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-amino-2-(4-propylphenyl)octan-4-ol
SMILESCCCc1ccc(C(C)CC(O)C(N)CCC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-14-8-10-15(11-9-14)13(3)12-17(19)16(18)7-5-2/h8-11,13,16-17,19H,4-7,12,18H2,1-3H3
InChIKeyKEYSEVLUVLJSMI-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
5-amino-2-(2-bromophenyl)octan-4-ol
CID 83924164
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(4-propylphenyl)octan-4-ol (CID 83921589) is 5-amino-2-(4-propylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(4-propylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(4-propylphenyl)octan-4-ol is CCCc1ccc(C(C)CC(O)C(N)CCC)cc1.
What is the InChIKey of 5-amino-2-(4-propylphenyl)octan-4-ol?
The InChIKey is KEYSEVLUVLJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-14-8-10-15(11-9-14)13(3)12-17(19)16(18)7-5-2/h8-11,13,16-17,19H,4-7,12,18H2,1-3H3.
What are the key properties of 5-amino-2-(4-propylphenyl)octan-4-ol?
5-amino-2-(4-propylphenyl)octan-4-ol has a molecular weight of 263.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propylphenyl)octan-4-ol is sourced from PubChem (CID 83921589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).