N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline

C17H30N2 — CID 63551148

IUPACN-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCCN(CC(C)C)c1ccccc1CNCC(C)C
InChIInChI=1S/C17H30N2/c1-6-19(13-15(4)5)17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyVIELOCMOHRKHPG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.91
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline

N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63551148) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63551148
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCCN(CC(C)C)c1ccccc1CNCC(C)C
InChIInChI=1S/C17H30N2/c1-6-19(13-15(4)5)17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyVIELOCMOHRKHPG-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.91
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-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
[2-[bis(2-methylpropyl)amino]phenyl]methanol
CID 61378074
N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62419867
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline (CID 63551148) is N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline is CCN(CC(C)C)c1ccccc1CNCC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is VIELOCMOHRKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(13-15(4)5)17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63551148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).