1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine

C19H33N — CID 82923315

IUPAC1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)CC(CC)CC
InChIInChI=1S/C19H33N/c1-6-11-20-19(13-17(7-2)8-3)14-18-10-9-15(4)16(5)12-18/h9-10,12,17,19-20H,6-8,11,13-14H2,1-5H3
InChIKeyPQQNIGCPLVVYCQ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.04
Rot. Bonds9

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

1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine (PubChem CID 82923315) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
PubChem CID82923315
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)CC(CC)CC
InChIInChI=1S/C19H33N/c1-6-11-20-19(13-17(7-2)8-3)14-18-10-9-15(4)16(5)12-18/h9-10,12,17,19-20H,6-8,11,13-14H2,1-5H3
InChIKeyPQQNIGCPLVVYCQ-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 55187491
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine (CID 82923315) is 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(C)c(C)c1)CC(CC)CC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine?
The InChIKey is PQQNIGCPLVVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-11-20-19(13-17(7-2)8-3)14-18-10-9-15(4)16(5)12-18/h9-10,12,17,19-20H,6-8,11,13-14H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine?
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine is sourced from PubChem (CID 82923315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).