1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine

C16H27N — CID 83161767

IUPAC1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
SMILESCCc1ccc(C(CCCC(C)C)NC)cc1
InChIInChI=1S/C16H27N/c1-5-14-9-11-15(12-10-14)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyVKQOEVBDGRBVSO-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.34
Rot. Bonds7

About 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine

1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine (PubChem CID 83161767) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
PubChem CID83161767
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
SMILESCCc1ccc(C(CCCC(C)C)NC)cc1
InChIInChI=1S/C16H27N/c1-5-14-9-11-15(12-10-14)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyVKQOEVBDGRBVSO-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
CID 43482360
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine (CID 83161767) is 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine is CCc1ccc(C(CCCC(C)C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is VKQOEVBDGRBVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-14-9-11-15(12-10-14)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine?
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 83161767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).