3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol

C16H27NO — CID 103707961

IUPAC3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-4-5-15(8-9-18)11-17-12-16-10-13(2)6-7-14(16)3/h6-7,10,15,17-18H,4-5,8-9,11-12H2,1-3H3
InChIKeyMAIMZPHPFKUKIK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds8

About 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol

3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol (PubChem CID 103707961) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
PubChem CID103707961
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-4-5-15(8-9-18)11-17-12-16-10-13(2)6-7-14(16)3/h6-7,10,15,17-18H,4-5,8-9,11-12H2,1-3H3
InChIKeyMAIMZPHPFKUKIK-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
3-[[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]hexan-1-ol
CID 106115486
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol (CID 103707961) is 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cc(C)ccc1C.
What is the InChIKey of 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is MAIMZPHPFKUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-15(8-9-18)11-17-12-16-10-13(2)6-7-14(16)3/h6-7,10,15,17-18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol?
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103707961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).