3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol

C17H29NO — CID 115137765

IUPAC3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
SMILESCC(C)c1ccc(CCN(C)C(CO)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-8-6-15(7-9-16)10-11-18(5)17(12-19)14(3)4/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyXESJRLFENANJQN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.30
Rot. Bonds7

About 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol

3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol (PubChem CID 115137765) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
PubChem CID115137765
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
SMILESCC(C)c1ccc(CCN(C)C(CO)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-8-6-15(7-9-16)10-11-18(5)17(12-19)14(3)4/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyXESJRLFENANJQN-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787
3-methyl-2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]butan-1-ol
CID 115137587
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol (CID 115137765) is 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol is CC(C)c1ccc(CCN(C)C(CO)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol?
The InChIKey is XESJRLFENANJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)16-8-6-15(7-9-16)10-11-18(5)17(12-19)14(3)4/h6-9,13-14,17,19H,10-12H2,1-5H3.
What are the key properties of 3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol?
3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.30, 7 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-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 115137765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).