4-amino-3-(4-cyclopropylphenyl)pentan-1-ol

C14H21NO — CID 79977799

IUPAC4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
SMILESCC(N)C(CCO)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-10(15)14(8-9-16)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9,15H2,1H3
InChIKeyBUGLOIRAWVFXTF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds5

About 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol

4-amino-3-(4-cyclopropylphenyl)pentan-1-ol (PubChem CID 79977799) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
PubChem CID79977799
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
SMILESCC(N)C(CCO)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-10(15)14(8-9-16)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9,15H2,1H3
InChIKeyBUGLOIRAWVFXTF-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(4-cyclopropylphenyl)pentanoic acid
CID 79978502
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
CID 79980578
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
CID 115005957
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol?
The IUPAC name of 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol (CID 79977799) is 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol?
The canonical SMILES for 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol is CC(N)C(CCO)c1ccc(C2CC2)cc1.
What is the InChIKey of 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol?
The InChIKey is BUGLOIRAWVFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(15)14(8-9-16)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9,15H2,1H3.
What are the key properties of 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol?
4-amino-3-(4-cyclopropylphenyl)pentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-cyclopropylphenyl)pentan-1-ol is sourced from PubChem (CID 79977799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).