2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

C17H29N — CID 63522041

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(C)c(CC(CNC(C)C)C(C)C)c1
InChIInChI=1S/C17H29N/c1-12(2)17(11-18-13(3)4)10-16-9-14(5)7-8-15(16)6/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyTZGDPCINJBTEOP-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.12
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 63522041) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID63522041
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(C)c(CC(CNC(C)C)C(C)C)c1
InChIInChI=1S/C17H29N/c1-12(2)17(11-18-13(3)4)10-16-9-14(5)7-8-15(16)6/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyTZGDPCINJBTEOP-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (CID 63522041) is 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is Cc1ccc(C)c(CC(CNC(C)C)C(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is TZGDPCINJBTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)17(11-18-13(3)4)10-16-9-14(5)7-8-15(16)6/h7-9,12-13,17-18H,10-11H2,1-6H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.12, 6 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63522041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).