1-amino-4-(4-propylphenyl)butan-2-ol

C13H21NO — CID 83921571

IUPAC1-amino-4-(4-propylphenyl)butan-2-ol
SMILESCCCc1ccc(CCC(O)CN)cc1
InChIInChI=1S/C13H21NO/c1-2-3-11-4-6-12(7-5-11)8-9-13(15)10-14/h4-7,13,15H,2-3,8-10,14H2,1H3
InChIKeyLKMPBGOQJSBOPF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds6

About 1-amino-4-(4-propylphenyl)butan-2-ol

1-amino-4-(4-propylphenyl)butan-2-ol (PubChem CID 83921571) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-amino-4-(4-propylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-propylphenyl)butan-2-ol
PubChem CID83921571
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-amino-4-(4-propylphenyl)butan-2-ol
SMILESCCCc1ccc(CCC(O)CN)cc1
InChIInChI=1S/C13H21NO/c1-2-3-11-4-6-12(7-5-11)8-9-13(15)10-14/h4-7,13,15H,2-3,8-10,14H2,1H3
InChIKeyLKMPBGOQJSBOPF-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

1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
1-(4-iodophenyl)pentan-3-ol
CID 65476724
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-phenylheptan-3-ol
CID 10420110
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-propylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(4-propylphenyl)butan-2-ol (CID 83921571) is 1-amino-4-(4-propylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(4-propylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(4-propylphenyl)butan-2-ol is CCCc1ccc(CCC(O)CN)cc1.
What is the InChIKey of 1-amino-4-(4-propylphenyl)butan-2-ol?
The InChIKey is LKMPBGOQJSBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-11-4-6-12(7-5-11)8-9-13(15)10-14/h4-7,13,15H,2-3,8-10,14H2,1H3.
What are the key properties of 1-amino-4-(4-propylphenyl)butan-2-ol?
1-amino-4-(4-propylphenyl)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 1-amino-4-(4-propylphenyl)butan-2-ol is sourced from PubChem (CID 83921571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).