2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol

C13H21NO — CID 65034209

IUPAC2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCC(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-10-4-6-13(7-5-10)12(3)14-8-11(2)9-15/h4-7,11-12,14-15H,8-9H2,1-3H3
InChIKeyLKDSLKAQPFZVKI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol

2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol (PubChem CID 65034209) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
PubChem CID65034209
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCC(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-10-4-6-13(7-5-10)12(3)14-8-11(2)9-15/h4-7,11-12,14-15H,8-9H2,1-3H3
InChIKeyLKDSLKAQPFZVKI-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 103246089
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol (CID 65034209) is 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol is Cc1ccc(C(C)NCC(C)CO)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol?
The InChIKey is LKDSLKAQPFZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-4-6-13(7-5-10)12(3)14-8-11(2)9-15/h4-7,11-12,14-15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol?
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 65034209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).