2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H31N — CID 63522399

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(C)c(CC(CNCC(C)C)C(C)C)c1
InChIInChI=1S/C18H31N/c1-13(2)11-19-12-18(14(3)4)10-17-9-15(5)7-8-16(17)6/h7-9,13-14,18-19H,10-12H2,1-6H3
InChIKeyUTEKEIWGIMURRA-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.36
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63522399) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63522399
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(C)c(CC(CNCC(C)C)C(C)C)c1
InChIInChI=1S/C18H31N/c1-13(2)11-19-12-18(14(3)4)10-17-9-15(5)7-8-16(17)6/h7-9,13-14,18-19H,10-12H2,1-6H3
InChIKeyUTEKEIWGIMURRA-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358
4-(2,5-dimethylphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82351058
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 63522399) is 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is Cc1ccc(C)c(CC(CNCC(C)C)C(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UTEKEIWGIMURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13(2)11-19-12-18(14(3)4)10-17-9-15(5)7-8-16(17)6/h7-9,13-14,18-19H,10-12H2,1-6H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63522399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).