3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol

C18H31NO — CID 66743557

IUPAC3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
SMILESCCCC(CCC)CCc1cccc(C(O)CCN)c1
InChIInChI=1S/C18H31NO/c1-3-6-15(7-4-2)10-11-16-8-5-9-17(14-16)18(20)12-13-19/h5,8-9,14-15,18,20H,3-4,6-7,10-13,19H2,1-2H3
InChIKeyUWXGPEVQWOHNEV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.22
Rot. Bonds10

About 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol

3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol (PubChem CID 66743557) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
PubChem CID66743557
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
SMILESCCCC(CCC)CCc1cccc(C(O)CCN)c1
InChIInChI=1S/C18H31NO/c1-3-6-15(7-4-2)10-11-16-8-5-9-17(14-16)18(20)12-13-19/h5,8-9,14-15,18,20H,3-4,6-7,10-13,19H2,1-2H3
InChIKeyUWXGPEVQWOHNEV-UHFFFAOYSA-N
XLogP4.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71229266
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CID 158563510
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CID 42610605
4-[3-(3-amino-1-hydroxypropyl)phenyl]-2,2-diethylbutanal
CID 123641994
3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
CID 143800223
4-[[3-(3-amino-1-hydroxypropyl)phenyl]sulfanylmethyl]heptan-1-ol
CID 67130321
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
CID 115838074
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol (CID 66743557) is 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol is CCCC(CCC)CCc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol?
The InChIKey is UWXGPEVQWOHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-6-15(7-4-2)10-11-16-8-5-9-17(14-16)18(20)12-13-19/h5,8-9,14-15,18,20H,3-4,6-7,10-13,19H2,1-2H3.
What are the key properties of 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol?
3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol is sourced from PubChem (CID 66743557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).