1-ethyl-3-methylbenzene;methanamine

C10H17N — CID 167447790

IUPAC1-ethyl-3-methylbenzene;methanamine
SMILESCCc1cccc(C)c1.CN
InChIInChI=1S/C9H12.CH5N/c1-3-9-6-4-5-8(2)7-9;1-2/h4-7H,3H2,1-2H3;2H2,1H3
InChIKeyWPTAXPOKCJXBEN-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.13
Rot. Bonds1

About 1-ethyl-3-methylbenzene;methanamine

1-ethyl-3-methylbenzene;methanamine (PubChem CID 167447790) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-ethyl-3-methylbenzene;methanamine.

Molecular Properties

Compound Name1-ethyl-3-methylbenzene;methanamine
PubChem CID167447790
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-ethyl-3-methylbenzene;methanamine
SMILESCCc1cccc(C)c1.CN
InChIInChI=1S/C9H12.CH5N/c1-3-9-6-4-5-8(2)7-9;1-2/h4-7H,3H2,1-2H3;2H2,1H3
InChIKeyWPTAXPOKCJXBEN-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
1-ethyl-3-methylbenzene;isocyanic acid
CID 88779668
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
CID 142053159
CID 142053159
CID 59201849
CID 59201849
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylbenzene;methanamine?
The IUPAC name of 1-ethyl-3-methylbenzene;methanamine (CID 167447790) is 1-ethyl-3-methylbenzene;methanamine.
What is the SMILES notation for 1-ethyl-3-methylbenzene;methanamine?
The canonical SMILES for 1-ethyl-3-methylbenzene;methanamine is CCc1cccc(C)c1.CN.
What is the InChIKey of 1-ethyl-3-methylbenzene;methanamine?
The InChIKey is WPTAXPOKCJXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CH5N/c1-3-9-6-4-5-8(2)7-9;1-2/h4-7H,3H2,1-2H3;2H2,1H3.
What are the key properties of 1-ethyl-3-methylbenzene;methanamine?
1-ethyl-3-methylbenzene;methanamine has a molecular weight of 151.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylbenzene;methanamine is sourced from PubChem (CID 167447790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).