2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine

C16H27N — CID 55096001

IUPAC2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-6-16(7-2,12-17-13(3)4)15-10-8-9-14(5)11-15/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyCMNAKPACJGHJSP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.05
Rot. Bonds6

About 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine

2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine (PubChem CID 55096001) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
PubChem CID55096001
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-6-16(7-2,12-17-13(3)4)15-10-8-9-14(5)11-15/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyCMNAKPACJGHJSP-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 63511400
1-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 63508982
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
1-[1-bromo-2-(bromomethyl)-4-methylhexan-2-yl]-3-methylbenzene
CID 79455740
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
CID 62774556
1-[1-chloro-2-(chloromethyl)-4-ethoxybutan-2-yl]-3-methylbenzene
CID 79453993
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 62595719
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine (CID 55096001) is 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine is CCC(CC)(CNC(C)C)c1cccc(C)c1.
What is the InChIKey of 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is CMNAKPACJGHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(7-2,12-17-13(3)4)15-10-8-9-14(5)11-15/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine?
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55096001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).