(2-butyl-6-ethenylphenyl)methanamine

C13H19N — CID 70520370

IUPAC(2-butyl-6-ethenylphenyl)methanamine
SMILESC=Cc1cccc(CCCC)c1CN
InChIInChI=1S/C13H19N/c1-3-5-7-12-9-6-8-11(4-2)13(12)10-14/h4,6,8-9H,2-3,5,7,10,14H2,1H3
InChIKeyNITMWFAQDFIXSZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.13
Rot. Bonds5

About (2-butyl-6-ethenylphenyl)methanamine

(2-butyl-6-ethenylphenyl)methanamine (PubChem CID 70520370) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2-butyl-6-ethenylphenyl)methanamine.

Molecular Properties

Compound Name(2-butyl-6-ethenylphenyl)methanamine
PubChem CID70520370
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2-butyl-6-ethenylphenyl)methanamine
SMILESC=Cc1cccc(CCCC)c1CN
InChIInChI=1S/C13H19N/c1-3-5-7-12-9-6-8-11(4-2)13(12)10-14/h4,6,8-9H,2-3,5,7,10,14H2,1H3
InChIKeyNITMWFAQDFIXSZ-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
(2-butyl-6-methylphenyl)methanamine
CID 163670855
1,3-dibutyl-2-ethylbenzene
CID 22713046
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-ethenyl-2-pentylbenzene
CID 22171756
1-bromo-2-butyl-3-ethenylbenzene
CID 68743980
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
3-butyl-2-ethenylphenol
CID 23312031
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
1-but-3-enyl-2,3-dibutylbenzene
CID 140596669
1,2,3-tributylbenzene;hydrate
CID 172716323
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018

Frequently Asked Questions

What is the IUPAC name of (2-butyl-6-ethenylphenyl)methanamine?
The IUPAC name of (2-butyl-6-ethenylphenyl)methanamine (CID 70520370) is (2-butyl-6-ethenylphenyl)methanamine.
What is the SMILES notation for (2-butyl-6-ethenylphenyl)methanamine?
The canonical SMILES for (2-butyl-6-ethenylphenyl)methanamine is C=Cc1cccc(CCCC)c1CN.
What is the InChIKey of (2-butyl-6-ethenylphenyl)methanamine?
The InChIKey is NITMWFAQDFIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-5-7-12-9-6-8-11(4-2)13(12)10-14/h4,6,8-9H,2-3,5,7,10,14H2,1H3.
What are the key properties of (2-butyl-6-ethenylphenyl)methanamine?
(2-butyl-6-ethenylphenyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-6-ethenylphenyl)methanamine is sourced from PubChem (CID 70520370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).