3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol

C19H31NO — CID 143800223

IUPAC3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
SMILESCCCC(C)(CCc1cccc(C(O)CCN)c1)C1CC1
InChIInChI=1S/C19H31NO/c1-3-11-19(2,17-7-8-17)12-9-15-5-4-6-16(14-15)18(21)10-13-20/h4-6,14,17-18,21H,3,7-13,20H2,1-2H3
InChIKeyVGILYQDBABAJNJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.22
Rot. Bonds9

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

3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol (PubChem CID 143800223) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
PubChem CID143800223
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
SMILESCCCC(C)(CCc1cccc(C(O)CCN)c1)C1CC1
InChIInChI=1S/C19H31NO/c1-3-11-19(2,17-7-8-17)12-9-15-5-4-6-16(14-15)18(21)10-13-20/h4-6,14,17-18,21H,3,7-13,20H2,1-2H3
InChIKeyVGILYQDBABAJNJ-UHFFFAOYSA-N
XLogP4.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol (CID 143800223) is 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol is CCCC(C)(CCc1cccc(C(O)CCN)c1)C1CC1.
What is the InChIKey of 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol?
The InChIKey is VGILYQDBABAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-11-19(2,17-7-8-17)12-9-15-5-4-6-16(14-15)18(21)10-13-20/h4-6,14,17-18,21H,3,7-13,20H2,1-2H3.
What are the key properties of 3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol?
3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.22, 9 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-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol is sourced from PubChem (CID 143800223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).