3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol

C14H23NO — CID 115897848

IUPAC3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1c(C)cccc1C
InChIInChI=1S/C14H23NO/c1-4-13(8-9-16)15-10-14-11(2)6-5-7-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyFBQUHJYIAWVGDM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds6

About 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol

3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol (PubChem CID 115897848) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
PubChem CID115897848
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1c(C)cccc1C
InChIInChI=1S/C14H23NO/c1-4-13(8-9-16)15-10-14-11(2)6-5-7-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyFBQUHJYIAWVGDM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
CID 106187895
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
2-[2-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 113495710
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686305
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)pentan-1-ol
CID 111449228

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol (CID 115897848) is 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1c(C)cccc1C.
What is the InChIKey of 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol?
The InChIKey is FBQUHJYIAWVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(8-9-16)15-10-14-11(2)6-5-7-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3.
What are the key properties of 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol?
3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 115897848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).