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

C17H27N — CID 79358185

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

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

N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79358185) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79358185
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCc1ccc(C(C)NC2C(C)(C)C2(C)C)c(C)c1
InChIInChI=1S/C17H27N/c1-11-8-9-14(12(2)10-11)13(3)18-15-16(4,5)17(15,6)7/h8-10,13,15,18H,1-7H3
InChIKeyLADWELIDIQECMR-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-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358782
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
CID 63448931
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[1-(2-fluorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353390
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79358185) is N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is Cc1ccc(C(C)NC2C(C)(C)C2(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is LADWELIDIQECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11-8-9-14(12(2)10-11)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-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(2,4-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-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79358185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).