3-(methylamino)-1-(4-propylphenyl)propan-1-ol

C13H21NO — CID 112509803

IUPAC3-(methylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)CCNC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-11-5-7-12(8-6-11)13(15)9-10-14-2/h5-8,13-15H,3-4,9-10H2,1-2H3
InChIKeyRJPCQMSYXJREMV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds6

About 3-(methylamino)-1-(4-propylphenyl)propan-1-ol

3-(methylamino)-1-(4-propylphenyl)propan-1-ol (PubChem CID 112509803) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-propylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(4-propylphenyl)propan-1-ol
PubChem CID112509803
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(methylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)CCNC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-11-5-7-12(8-6-11)13(15)9-10-14-2/h5-8,13-15H,3-4,9-10H2,1-2H3
InChIKeyRJPCQMSYXJREMV-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
3-(methylamino)-1-(4-methylphenyl)propan-1-ol
CID 22925331
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
1-(4-butylphenyl)butan-1-ol
CID 61088483
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol
CID 83921763
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-propylphenyl)propan-1-ol?
The IUPAC name of 3-(methylamino)-1-(4-propylphenyl)propan-1-ol (CID 112509803) is 3-(methylamino)-1-(4-propylphenyl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-(4-propylphenyl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-1-(4-propylphenyl)propan-1-ol is CCCc1ccc(C(O)CCNC)cc1.
What is the InChIKey of 3-(methylamino)-1-(4-propylphenyl)propan-1-ol?
The InChIKey is RJPCQMSYXJREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-11-5-7-12(8-6-11)13(15)9-10-14-2/h5-8,13-15H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(4-propylphenyl)propan-1-ol?
3-(methylamino)-1-(4-propylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-propylphenyl)propan-1-ol is sourced from PubChem (CID 112509803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).