N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C17H27N — CID 79358782

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCc1ccc(C(C)NC2C(C)(C)C2(C)C)cc1C
InChIInChI=1S/C17H27N/c1-11-8-9-14(10-12(11)2)13(3)18-15-16(4,5)17(15,6)7/h8-10,13,15,18H,1-7H3
InChIKeySULFXHPLIJQNSD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79358782) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79358782
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCc1ccc(C(C)NC2C(C)(C)C2(C)C)cc1C
InChIInChI=1S/C17H27N/c1-11-8-9-14(10-12(11)2)13(3)18-15-16(4,5)17(15,6)7/h8-10,13,15,18H,1-7H3
InChIKeySULFXHPLIJQNSD-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358185
N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783786
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
2-[1-(3,4-dimethylphenyl)ethyl]-1,1-dimethylhydrazine
CID 83004020
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710182
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79358782) is N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is Cc1ccc(C(C)NC2C(C)(C)C2(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is SULFXHPLIJQNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11-8-9-14(10-12(11)2)13(3)18-15-16(4,5)17(15,6)7/h8-10,13,15,18H,1-7H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79358782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).