3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol

C15H25NO — CID 115134045

IUPAC3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
SMILESCCCc1ccc(CNC(C)(C)CCO)cc1
InChIInChI=1S/C15H25NO/c1-4-5-13-6-8-14(9-7-13)12-16-15(2,3)10-11-17/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyWHXFVSPKVGMNMY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds7

About 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol

3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol (PubChem CID 115134045) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
PubChem CID115134045
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
SMILESCCCc1ccc(CNC(C)(C)CCO)cc1
InChIInChI=1S/C15H25NO/c1-4-5-13-6-8-14(9-7-13)12-16-15(2,3)10-11-17/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyWHXFVSPKVGMNMY-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(4-propylanilino)butan-1-ol
CID 115133797
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
CID 111469022
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072
3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 114936936
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
CID 71922652

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol (CID 115134045) is 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol is CCCc1ccc(CNC(C)(C)CCO)cc1.
What is the InChIKey of 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol?
The InChIKey is WHXFVSPKVGMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-13-6-8-14(9-7-13)12-16-15(2,3)10-11-17/h6-9,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol?
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 115134045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).