2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

C17H27N — CID 83159965

IUPAC2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccccc1CC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(4,16-9-10-16)11-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeySUMVAJDDIMWGKS-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds6

About 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 83159965) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID83159965
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccccc1CC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(4,16-9-10-16)11-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeySUMVAJDDIMWGKS-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159961
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
2-cyclopropyl-2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 83160149
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 83159965) is 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccccc1CC(C)(CNC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is SUMVAJDDIMWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)18-12-17(4,16-9-10-16)11-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 83159965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).