2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline

C14H24N2 — CID 61429364

IUPAC2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CCC(C)C)cc1N
InChIInChI=1S/C14H24N2/c1-11(2)7-8-16(4)10-13-6-5-12(3)14(15)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyAPMAKCFBFAVRGQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.06
Rot. Bonds5

About 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline

2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline (PubChem CID 61429364) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
PubChem CID61429364
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CCC(C)C)cc1N
InChIInChI=1S/C14H24N2/c1-11(2)7-8-16(4)10-13-6-5-12(3)14(15)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyAPMAKCFBFAVRGQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
CID 61422466
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
CID 62471546
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline (CID 61429364) is 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline is Cc1ccc(CN(C)CCC(C)C)cc1N.
What is the InChIKey of 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
The InChIKey is APMAKCFBFAVRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-8-16(4)10-13-6-5-12(3)14(15)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline?
2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline is sourced from PubChem (CID 61429364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).