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

C16H25N — CID 115641493

IUPAC2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCc1ccc(C)c(C(C)NCC(C)C2CC2)c1
InChIInChI=1S/C16H25N/c1-11-5-6-12(2)16(9-11)14(4)17-10-13(3)15-7-8-15/h5-6,9,13-15,17H,7-8,10H2,1-4H3
InChIKeyOPSAWEGLDVBDQJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.00
Rot. Bonds5

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

2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 115641493) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
PubChem CID115641493
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCc1ccc(C)c(C(C)NCC(C)C2CC2)c1
InChIInChI=1S/C16H25N/c1-11-5-6-12(2)16(9-11)14(4)17-10-13(3)15-7-8-15/h5-6,9,13-15,17H,7-8,10H2,1-4H3
InChIKeyOPSAWEGLDVBDQJ-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781596
1-(2,5-dimethylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131699
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983887
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733
1-(2,5-dimethylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600271
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine (CID 115641493) is 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine is Cc1ccc(C)c(C(C)NCC(C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is OPSAWEGLDVBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-6-12(2)16(9-11)14(4)17-10-13(3)15-7-8-15/h5-6,9,13-15,17H,7-8,10H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115641493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).