1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

C17H27N — CID 114114845

IUPAC1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)17(8-9-17)11-18-15(5)16-7-6-13(3)10-14(16)4/h6-7,10,12,15,18H,8-9,11H2,1-5H3
InChIKeyWVTLHUDUTRUPBQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (PubChem CID 114114845) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
PubChem CID114114845
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)17(8-9-17)11-18-15(5)16-7-6-13(3)10-14(16)4/h6-7,10,12,15,18H,8-9,11H2,1-5H3
InChIKeyWVTLHUDUTRUPBQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 61011128
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (CID 114114845) is 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is Cc1ccc(C(C)NCC2(C(C)C)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The InChIKey is WVTLHUDUTRUPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)17(8-9-17)11-18-15(5)16-7-6-13(3)10-14(16)4/h6-7,10,12,15,18H,8-9,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114114845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).