2-(methylaminomethyl)-2-phenylbutan-1-ol

C12H19NO — CID 13463568

IUPAC2-(methylaminomethyl)-2-phenylbutan-1-ol
SMILESCCC(CO)(CNC)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(10-14,9-13-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyRLQSGCWHFUNMMR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.55
Rot. Bonds5

About 2-(methylaminomethyl)-2-phenylbutan-1-ol

2-(methylaminomethyl)-2-phenylbutan-1-ol (PubChem CID 13463568) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(methylaminomethyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylaminomethyl)-2-phenylbutan-1-ol
PubChem CID13463568
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(methylaminomethyl)-2-phenylbutan-1-ol
SMILESCCC(CO)(CNC)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(10-14,9-13-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyRLQSGCWHFUNMMR-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide;hydrochloride
CID 119808349
[2-(hydroxymethyl)-2-phenylbutyl] N-aminocarbamate
CID 131876760

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylaminomethyl)-2-phenylbutan-1-ol (CID 13463568) is 2-(methylaminomethyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylaminomethyl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylaminomethyl)-2-phenylbutan-1-ol is CCC(CO)(CNC)c1ccccc1.
What is the InChIKey of 2-(methylaminomethyl)-2-phenylbutan-1-ol?
The InChIKey is RLQSGCWHFUNMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(10-14,9-13-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-2-phenylbutan-1-ol?
2-(methylaminomethyl)-2-phenylbutan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 13463568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).