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

C16H25N — CID 114107679

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-11-6-7-15(12(2)8-11)13(3)17-10-14-9-16(14,4)5/h6-8,13-14,17H,9-10H2,1-5H3
InChIKeySPLLOQWSNSKLAM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.00
Rot. Bonds4

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

N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 114107679) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID114107679
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-11-6-7-15(12(2)8-11)13(3)17-10-14-9-16(14,4)5/h6-8,13-14,17H,9-10H2,1-5H3
InChIKeySPLLOQWSNSKLAM-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 114107583
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 114114845
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
CID 62065092
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358185
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'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (CID 114107679) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NCC2CC2(C)C)c(C)c1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is SPLLOQWSNSKLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-6-7-15(12(2)8-11)13(3)17-10-14-9-16(14,4)5/h6-8,13-14,17H,9-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 114107679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).