4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine

C16H28N2O — CID 103389173

IUPAC4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-7-8-16(13(2)10-12)14(3)18-15(11-19-4)6-5-9-17/h7-8,10,14-15,18H,5-6,9,11,17H2,1-4H3
InChIKeyCIURXFMMFNGOER-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.71
Rot. Bonds8

About 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine

4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine (PubChem CID 103389173) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
PubChem CID103389173
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-7-8-16(13(2)10-12)14(3)18-15(11-19-4)6-5-9-17/h7-8,10,14-15,18H,5-6,9,11,17H2,1-4H3
InChIKeyCIURXFMMFNGOER-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine
CID 103388237
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
CID 103388167
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine (CID 103389173) is 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine?
The InChIKey is CIURXFMMFNGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-7-8-16(13(2)10-12)14(3)18-15(11-19-4)6-5-9-17/h7-8,10,14-15,18H,5-6,9,11,17H2,1-4H3.
What are the key properties of 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine?
4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).