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

C14H23NO — CID 62267045

IUPAC2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(C)(C)CO
InChIInChI=1S/C14H23NO/c1-12-7-5-6-8-13(12)9-15(4)10-14(2,3)11-16/h5-8,16H,9-11H2,1-4H3
InChIKeySRHKPCGNHHFVKR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.45
Rot. Bonds5

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

2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 62267045) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
PubChem CID62267045
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(C)(C)CO
InChIInChI=1S/C14H23NO/c1-12-7-5-6-8-13(12)9-15(4)10-14(2,3)11-16/h5-8,16H,9-11H2,1-4H3
InChIKeySRHKPCGNHHFVKR-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-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
CID 90735302
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (CID 62267045) is 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol is Cc1ccccc1CN(C)CC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is SRHKPCGNHHFVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-7-5-6-8-13(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-[(2-methylphenyl)methyl]amino]propan-1-ol?
2,2-dimethyl-3-[methyl-[(2-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-[(2-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 62267045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).