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

C19H33N — CID 63528478

IUPAC3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cccc(C)c1)NCCC
InChIInChI=1S/C19H33N/c1-5-8-12-18(7-3)19(20-13-6-2)15-17-11-9-10-16(4)14-17/h9-11,14,18-20H,5-8,12-13,15H2,1-4H3
InChIKeyFLUPBYBCIBNJEV-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.12
Rot. Bonds10

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

3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine (PubChem CID 63528478) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
PubChem CID63528478
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cccc(C)c1)NCCC
InChIInChI=1S/C19H33N/c1-5-8-12-18(7-3)19(20-13-6-2)15-17-11-9-10-16(4)14-17/h9-11,14,18-20H,5-8,12-13,15H2,1-4H3
InChIKeyFLUPBYBCIBNJEV-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105284555
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791
4-benzyl-N-propylhexan-3-amine
CID 79307889
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine?
The IUPAC name of 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine (CID 63528478) is 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine is CCCCC(CC)C(Cc1cccc(C)c1)NCCC.
What is the InChIKey of 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine?
The InChIKey is FLUPBYBCIBNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-8-12-18(7-3)19(20-13-6-2)15-17-11-9-10-16(4)14-17/h9-11,14,18-20H,5-8,12-13,15H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine?
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine is sourced from PubChem (CID 63528478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).