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

C18H32N2 — CID 79481296

IUPACN-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)CN(CC)c1ccccc1CNCC(C)C
InChIInChI=1S/C18H32N2/c1-6-16(5)14-20(7-2)18-11-9-8-10-17(18)13-19-12-15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyZDRMFCABZMCDQU-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.30
Rot. Bonds9

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

N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 79481296) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
PubChem CID79481296
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)CN(CC)c1ccccc1CNCC(C)C
InChIInChI=1S/C18H32N2/c1-6-16(5)14-20(7-2)18-11-9-8-10-17(18)13-19-12-15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyZDRMFCABZMCDQU-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
CID 114852451
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline (CID 79481296) is N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline is CCC(C)CN(CC)c1ccccc1CNCC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is ZDRMFCABZMCDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-16(5)14-20(7-2)18-11-9-8-10-17(18)13-19-12-15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3.
What are the key properties of N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 276.47 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 79481296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).