[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine

C13H19N — CID 143341982

IUPAC[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
SMILESC=C(CC)Cc1ccc(CN)cc1C
InChIInChI=1S/C13H19N/c1-4-10(2)7-13-6-5-12(9-14)8-11(13)3/h5-6,8H,2,4,7,9,14H2,1,3H3
InChIKeyNIOGJPSFXGTAPY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.96
Rot. Bonds4

About [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine

[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine (PubChem CID 143341982) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
PubChem CID143341982
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
SMILESC=C(CC)Cc1ccc(CN)cc1C
InChIInChI=1S/C13H19N/c1-4-10(2)7-13-6-5-12(9-14)8-11(13)3/h5-6,8H,2,4,7,9,14H2,1,3H3
InChIKeyNIOGJPSFXGTAPY-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[3-methyl-4-(nitrosomethyl)phenyl]methanamine
CID 142082936
(2-methyl-4-propylphenyl)methanamine
CID 86664509
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
4-(aminomethyl)-2-methylaniline
CID 18727732
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
CID 143343154
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[4-methyl-3-(2-phenylethyl)phenyl]methanamine
CID 134425806

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine (CID 143341982) is [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine is C=C(CC)Cc1ccc(CN)cc1C.
What is the InChIKey of [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine?
The InChIKey is NIOGJPSFXGTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10(2)7-13-6-5-12(9-14)8-11(13)3/h5-6,8H,2,4,7,9,14H2,1,3H3.
What are the key properties of [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine?
[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2-methylidenebutyl)phenyl]methanamine is sourced from PubChem (CID 143341982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).