N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine

C16H25N — CID 61482130

IUPACN-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H25N/c1-4-9-17-16(14-7-8-14)11-15-10-12(2)5-6-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3
InChIKeyVFLCQULSSSKIFV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.62
Rot. Bonds6

About N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 61482130) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
PubChem CID61482130
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H25N/c1-4-9-17-16(14-7-8-14)11-15-10-12(2)5-6-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3
InChIKeyVFLCQULSSSKIFV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
CID 63355424
1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 60714034
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine (CID 61482130) is N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1C)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is VFLCQULSSSKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-9-17-16(14-7-8-14)11-15-10-12(2)5-6-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 61482130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).