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

C17H30N2O — CID 110929932

IUPAC1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)CC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)14-19(5)13-16(20)12-18(4)11-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3
InChIKeyFMIQKNAEIHRSQH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.46
Rot. Bonds7

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

1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol (PubChem CID 110929932) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
PubChem CID110929932
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN(C)CC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)14-19(5)13-16(20)12-18(4)11-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3
InChIKeyFMIQKNAEIHRSQH-UHFFFAOYSA-N
XLogP2.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
CID 112810893
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 86952535
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol (CID 110929932) is 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol is CN(Cc1ccccc1)CC(O)CN(C)CC(C)(C)C.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The InChIKey is FMIQKNAEIHRSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)14-19(5)13-16(20)12-18(4)11-15-9-7-6-8-10-15/h6-10,16,20H,11-14H2,1-5H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 110929932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).