3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol

C13H21NO — CID 13422168

IUPAC3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
SMILESCN(Cc1ccccc1)CC(C)(C)CO
InChIInChI=1S/C13H21NO/c1-13(2,11-15)10-14(3)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyRWNZSAMXORHQST-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds5

About 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol

3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 13422168) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID13422168
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
SMILESCN(Cc1ccccc1)CC(C)(C)CO
InChIInChI=1S/C13H21NO/c1-13(2,11-15)10-14(3)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyRWNZSAMXORHQST-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol
CID 110009629
1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 10659099
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol (CID 13422168) is 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol is CN(Cc1ccccc1)CC(C)(C)CO.
What is the InChIKey of 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is RWNZSAMXORHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,11-15)10-14(3)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol?
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 13422168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).