ethane;4-(3-methylphenyl)butan-1-amine

C13H23N — CID 142116258

IUPACethane;4-(3-methylphenyl)butan-1-amine
SMILESCC.Cc1cccc(CCCCN)c1
InChIInChI=1S/C11H17N.C2H6/c1-10-5-4-7-11(9-10)6-2-3-8-12;1-2/h4-5,7,9H,2-3,6,8,12H2,1H3;1-2H3
InChIKeyUTJLFJIZPWCUCW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.30
Rot. Bonds4

About ethane;4-(3-methylphenyl)butan-1-amine

ethane;4-(3-methylphenyl)butan-1-amine (PubChem CID 142116258) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;4-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Nameethane;4-(3-methylphenyl)butan-1-amine
PubChem CID142116258
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;4-(3-methylphenyl)butan-1-amine
SMILESCC.Cc1cccc(CCCCN)c1
InChIInChI=1S/C11H17N.C2H6/c1-10-5-4-7-11(9-10)6-2-3-8-12;1-2/h4-5,7,9H,2-3,6,8,12H2,1H3;1-2H3
InChIKeyUTJLFJIZPWCUCW-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)propan-1-amine
CID 12666388
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CID 22920080
ethane;1-methyl-3-pentylbenzene
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2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
5-(3-methylphenyl)pentan-2-amine
CID 64502928
pentan-1-amine;1,3-xylene
CID 174917412

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylphenyl)butan-1-amine?
The IUPAC name of ethane;4-(3-methylphenyl)butan-1-amine (CID 142116258) is ethane;4-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for ethane;4-(3-methylphenyl)butan-1-amine?
The canonical SMILES for ethane;4-(3-methylphenyl)butan-1-amine is CC.Cc1cccc(CCCCN)c1.
What is the InChIKey of ethane;4-(3-methylphenyl)butan-1-amine?
The InChIKey is UTJLFJIZPWCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-10-5-4-7-11(9-10)6-2-3-8-12;1-2/h4-5,7,9H,2-3,6,8,12H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-methylphenyl)butan-1-amine?
ethane;4-(3-methylphenyl)butan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 142116258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).