3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine

C18H31N — CID 107897187

IUPAC3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C18H31N/c1-6-8-16(5)18(13-19-14(2)3)12-17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3
InChIKeyMGYRPQDWQNCOGR-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.59
Rot. Bonds8

About 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine

3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine (PubChem CID 107897187) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
PubChem CID107897187
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C18H31N/c1-6-8-16(5)18(13-19-14(2)3)12-17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3
InChIKeyMGYRPQDWQNCOGR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 63508982
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine (CID 107897187) is 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine is CCCC(C)C(CNC(C)C)Cc1cccc(C)c1.
What is the InChIKey of 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is MGYRPQDWQNCOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-16(5)18(13-19-14(2)3)12-17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3.
What are the key properties of 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine?
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107897187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).