3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol

C17H29NO — CID 115137620

IUPAC3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
SMILESCc1ccc(C(C)C)cc1CN(C)C(CO)C(C)C
InChIInChI=1S/C17H29NO/c1-12(2)15-8-7-14(5)16(9-15)10-18(6)17(11-19)13(3)4/h7-9,12-13,17,19H,10-11H2,1-6H3
InChIKeyCGJKYVJOMWFMRT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.57
Rot. Bonds6

About 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol

3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol (PubChem CID 115137620) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
PubChem CID115137620
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
SMILESCc1ccc(C(C)C)cc1CN(C)C(CO)C(C)C
InChIInChI=1S/C17H29NO/c1-12(2)15-8-7-14(5)16(9-15)10-18(6)17(11-19)13(3)4/h7-9,12-13,17,19H,10-11H2,1-6H3
InChIKeyCGJKYVJOMWFMRT-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137616
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
CID 115137765
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol (CID 115137620) is 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol is Cc1ccc(C(C)C)cc1CN(C)C(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol?
The InChIKey is CGJKYVJOMWFMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)15-8-7-14(5)16(9-15)10-18(6)17(11-19)13(3)4/h7-9,12-13,17,19H,10-11H2,1-6H3.
What are the key properties of 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol?
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol is sourced from PubChem (CID 115137620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).