N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline

C13H22N2 — CID 63058925

IUPACN,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(C)C
InChIInChI=1S/C13H22N2/c1-11(2)9-14-10-12-7-5-6-8-13(12)15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyUVEWBLNZZOWNNQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.50
Rot. Bonds5

About N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline

N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63058925) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63058925
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(C)C
InChIInChI=1S/C13H22N2/c1-11(2)9-14-10-12-7-5-6-8-13(12)15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyUVEWBLNZZOWNNQ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
N-[[2-(dimethylamino)phenyl]methyl]hydroxylamine
CID 82597179
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline (CID 63058925) is N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is UVEWBLNZZOWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)9-14-10-12-7-5-6-8-13(12)15(3)4/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline?
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63058925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).