1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine

C17H29N — CID 105028376

IUPAC1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-15(7-2)12-17(18-8-3)16-10-9-13(4)11-14(16)5/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyBFLIHEYVJIOOEI-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine

1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine (PubChem CID 105028376) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
PubChem CID105028376
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-15(7-2)12-17(18-8-3)16-10-9-13(4)11-14(16)5/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyBFLIHEYVJIOOEI-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63469719
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine (CID 105028376) is 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine is CCNC(CC(CC)CC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine?
The InChIKey is BFLIHEYVJIOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-15(7-2)12-17(18-8-3)16-10-9-13(4)11-14(16)5/h9-11,15,17-18H,6-8,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine?
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine is sourced from PubChem (CID 105028376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).