N-ethyl-1-(2-methylphenyl)heptan-3-amine

C16H27N — CID 105125674

IUPACN-ethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCCCCC(CCc1ccccc1C)NCC
InChIInChI=1S/C16H27N/c1-4-6-11-16(17-5-2)13-12-15-10-8-7-9-14(15)3/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyXJBYFQXWQLWLJY-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.10
Rot. Bonds8

About N-ethyl-1-(2-methylphenyl)heptan-3-amine

N-ethyl-1-(2-methylphenyl)heptan-3-amine (PubChem CID 105125674) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)heptan-3-amine
PubChem CID105125674
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-1-(2-methylphenyl)heptan-3-amine
SMILESCCCCC(CCc1ccccc1C)NCC
InChIInChI=1S/C16H27N/c1-4-6-11-16(17-5-2)13-12-15-10-8-7-9-14(15)3/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyXJBYFQXWQLWLJY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-ethyl-1-(2-methylphenyl)decan-2-amine
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1-(2-methylphenyl)heptan-3-amine
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N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
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1-methyl-2-pentylbenzene
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)heptan-3-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)heptan-3-amine (CID 105125674) is N-ethyl-1-(2-methylphenyl)heptan-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)heptan-3-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)heptan-3-amine is CCCCC(CCc1ccccc1C)NCC.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)heptan-3-amine?
The InChIKey is XJBYFQXWQLWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-11-16(17-5-2)13-12-15-10-8-7-9-14(15)3/h7-10,16-17H,4-6,11-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)heptan-3-amine?
N-ethyl-1-(2-methylphenyl)heptan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105125674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).