4-[3-(3-aminopropyl)phenyl]butan-2-ol

C13H21NO — CID 71016170

IUPAC4-[3-(3-aminopropyl)phenyl]butan-2-ol
SMILESCC(O)CCc1cccc(CCCN)c1
InChIInChI=1S/C13H21NO/c1-11(15)7-8-13-5-2-4-12(10-13)6-3-9-14/h2,4-5,10-11,15H,3,6-9,14H2,1H3
InChIKeyQHJLEPLZEOABHK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds6

About 4-[3-(3-aminopropyl)phenyl]butan-2-ol

4-[3-(3-aminopropyl)phenyl]butan-2-ol (PubChem CID 71016170) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[3-(3-aminopropyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(3-aminopropyl)phenyl]butan-2-ol
PubChem CID71016170
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[3-(3-aminopropyl)phenyl]butan-2-ol
SMILESCC(O)CCc1cccc(CCCN)c1
InChIInChI=1S/C13H21NO/c1-11(15)7-8-13-5-2-4-12(10-13)6-3-9-14/h2,4-5,10-11,15H,3,6-9,14H2,1H3
InChIKeyQHJLEPLZEOABHK-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
5-[3-(3-aminopropyl)phenyl]hexanamide
CID 91188909
3-(3-methylphenyl)propan-1-amine
CID 12666388
4-[3-(3-aminopropyl)phenyl]-2,6-dimethylheptan-4-ol
CID 71229216
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 84736382
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
1-[3-(3-aminopropyl)phenyl]-2-methylhexan-2-ol
CID 42610750
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
CID 66743271

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopropyl)phenyl]butan-2-ol?
The IUPAC name of 4-[3-(3-aminopropyl)phenyl]butan-2-ol (CID 71016170) is 4-[3-(3-aminopropyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-[3-(3-aminopropyl)phenyl]butan-2-ol?
The canonical SMILES for 4-[3-(3-aminopropyl)phenyl]butan-2-ol is CC(O)CCc1cccc(CCCN)c1.
What is the InChIKey of 4-[3-(3-aminopropyl)phenyl]butan-2-ol?
The InChIKey is QHJLEPLZEOABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15)7-8-13-5-2-4-12(10-13)6-3-9-14/h2,4-5,10-11,15H,3,6-9,14H2,1H3.
What are the key properties of 4-[3-(3-aminopropyl)phenyl]butan-2-ol?
4-[3-(3-aminopropyl)phenyl]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopropyl)phenyl]butan-2-ol is sourced from PubChem (CID 71016170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).