3-(2-ethyl-5-methylphenyl)propan-1-amine

C12H19N — CID 117277653

IUPAC3-(2-ethyl-5-methylphenyl)propan-1-amine
SMILESCCc1ccc(C)cc1CCCN
InChIInChI=1S/C12H19N/c1-3-11-7-6-10(2)9-12(11)5-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyMNXMEGKPFUCRAY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-ethyl-5-methylphenyl)propan-1-amine

3-(2-ethyl-5-methylphenyl)propan-1-amine (PubChem CID 117277653) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)propan-1-amine
PubChem CID117277653
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(2-ethyl-5-methylphenyl)propan-1-amine
SMILESCCc1ccc(C)cc1CCCN
InChIInChI=1S/C12H19N/c1-3-11-7-6-10(2)9-12(11)5-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyMNXMEGKPFUCRAY-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylsulfanyl-5-methylphenyl)propan-1-amine
CID 82264952
3-(4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117327500
3-(2-benzyl-4-methylphenyl)propan-1-amine
CID 141412375
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
3-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-1-amine
CID 117304320
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
2-(2,5-diethylphenyl)ethanamine
CID 117277667
3-(2,3,5-trimethylphenyl)propan-1-amine
CID 117277650
3-[(4R)-4-(2-ethyl-4-methylphenyl)-3,5-dimethylcyclohexa-1,5-dien-1-yl]propan-1-amine
CID 135278126
6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)propan-1-amine (CID 117277653) is 3-(2-ethyl-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)propan-1-amine is CCc1ccc(C)cc1CCCN.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)propan-1-amine?
The InChIKey is MNXMEGKPFUCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-11-7-6-10(2)9-12(11)5-4-8-13/h6-7,9H,3-5,8,13H2,1-2H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)propan-1-amine?
3-(2-ethyl-5-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 117277653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).