2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol

C14H23NO — CID 115250742

IUPAC2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-4-13(10-16)8-15-9-14-6-5-11(2)12(3)7-14/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyZGRJLBZAGCIJNK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.41
Rot. Bonds6

About 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol

2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol (PubChem CID 115250742) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
PubChem CID115250742
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO/c1-4-13(10-16)8-15-9-14-6-5-11(2)12(3)7-14/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyZGRJLBZAGCIJNK-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251143
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol (CID 115250742) is 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol is CCC(CO)CNCc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol?
The InChIKey is ZGRJLBZAGCIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(10-16)8-15-9-14-6-5-11(2)12(3)7-14/h5-7,13,15-16H,4,8-10H2,1-3H3.
What are the key properties of 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol?
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).