N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine

C20H33N — CID 63509649

IUPACN-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-5-7-12-20(6-2,15-21-19-10-11-19)14-18-9-8-16(3)17(4)13-18/h8-9,13,19,21H,5-7,10-12,14-15H2,1-4H3
InChIKeyPYCNIOGXXGIWHG-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.18
Rot. Bonds9

About N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine

N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine (PubChem CID 63509649) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine
PubChem CID63509649
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-5-7-12-20(6-2,15-21-19-10-11-19)14-18-9-8-16(3)17(4)13-18/h8-9,13,19,21H,5-7,10-12,14-15H2,1-4H3
InChIKeyPYCNIOGXXGIWHG-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
CID 105408236
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
CID 62528938
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831
1-[2-(bromomethyl)-2-ethylhexyl]-4-methylbenzene
CID 66050456
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 63494824

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine (CID 63509649) is N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine is CCCCC(CC)(CNC1CC1)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The InChIKey is PYCNIOGXXGIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-7-12-20(6-2,15-21-19-10-11-19)14-18-9-8-16(3)17(4)13-18/h8-9,13,19,21H,5-7,10-12,14-15H2,1-4H3.
What are the key properties of N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine?
N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine has a molecular weight of 287.49 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine is sourced from PubChem (CID 63509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).