2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol

C14H23NO — CID 62266896

IUPAC2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)CC(C)(C)CO)c1
InChIInChI=1S/C14H23NO/c1-12-6-5-7-13(8-12)9-15(4)10-14(2,3)11-16/h5-8,16H,9-11H2,1-4H3
InChIKeyNOLSMXLCEIOUAY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.45
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol

2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 62266896) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
PubChem CID62266896
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)CC(C)(C)CO)c1
InChIInChI=1S/C14H23NO/c1-12-6-5-7-13(8-12)9-15(4)10-14(2,3)11-16/h5-8,16H,9-11H2,1-4H3
InChIKeyNOLSMXLCEIOUAY-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
3,3-dimethyl-4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoic acid
CID 115220460

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol (CID 62266896) is 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol is Cc1cccc(CN(C)CC(C)(C)CO)c1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is NOLSMXLCEIOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-6-5-7-13(8-12)9-15(4)10-14(2,3)11-16/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 62266896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).