N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine

C14H21N — CID 62538182

IUPACN-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CCNCC2CC2)c1
InChIInChI=1S/C14H21N/c1-11-3-4-12(2)14(9-11)7-8-15-10-13-5-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKeyBKRMCHOXWJLBTK-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.85
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine

N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 62538182) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID62538182
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CCNCC2CC2)c1
InChIInChI=1S/C14H21N/c1-11-3-4-12(2)14(9-11)7-8-15-10-13-5-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKeyBKRMCHOXWJLBTK-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213715
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine (CID 62538182) is N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(CCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is BKRMCHOXWJLBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-3-4-12(2)14(9-11)7-8-15-10-13-5-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine?
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 203.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 62538182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).