1-(4-methylphenyl)-N,3-dipropylhexan-2-amine

C19H33N — CID 82987030

IUPAC1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(CCC)CCC
InChIInChI=1S/C19H33N/c1-5-8-18(9-6-2)19(20-14-7-3)15-17-12-10-16(4)11-13-17/h10-13,18-20H,5-9,14-15H2,1-4H3
InChIKeyPDGOYDXMQGFELT-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.12
Rot. Bonds10

About 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine

1-(4-methylphenyl)-N,3-dipropylhexan-2-amine (PubChem CID 82987030) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
PubChem CID82987030
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(CCC)CCC
InChIInChI=1S/C19H33N/c1-5-8-18(9-6-2)19(20-14-7-3)15-17-12-10-16(4)11-13-17/h10-13,18-20H,5-9,14-15H2,1-4H3
InChIKeyPDGOYDXMQGFELT-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

1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 103759808
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
CID 105289972
[1-(4-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105283723
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine (CID 82987030) is 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine is CCCNC(Cc1ccc(C)cc1)C(CCC)CCC.
What is the InChIKey of 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine?
The InChIKey is PDGOYDXMQGFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-8-18(9-6-2)19(20-14-7-3)15-17-12-10-16(4)11-13-17/h10-13,18-20H,5-9,14-15H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine?
1-(4-methylphenyl)-N,3-dipropylhexan-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 1-(4-methylphenyl)-N,3-dipropylhexan-2-amine is sourced from PubChem (CID 82987030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).