N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline

C17H30N2 — CID 62134843

IUPACN-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC(C)C)c1ccc(CNC(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-19(12-13(2)3)17-9-8-16(15(6)10-17)11-18-14(4)5/h8-10,13-14,18H,7,11-12H2,1-6H3
InChIKeyLJXVRTLYEUOOQL-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline

N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 62134843) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
PubChem CID62134843
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC(C)C)c1ccc(CNC(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-19(12-13(2)3)17-9-8-16(15(6)10-17)11-18-14(4)5/h8-10,13-14,18H,7,11-12H2,1-6H3
InChIKeyLJXVRTLYEUOOQL-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 63540964
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
N-butyl-N,3-dimethyl-4-[(propan-2-ylamino)methyl]aniline
CID 62135683
4-(bromomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)aniline
CID 107084418
N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63552513
2-[3-methyl-N-pentan-3-yl-4-[(propan-2-ylamino)methyl]anilino]ethanol
CID 62130474
N,3-dimethyl-N-(2-methylsulfanylethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 112662242
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
N,3-dimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63713320
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
N,3-dimethyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)aniline
CID 81057034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline (CID 62134843) is N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline is CCN(CC(C)C)c1ccc(CNC(C)C)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is LJXVRTLYEUOOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-19(12-13(2)3)17-9-8-16(15(6)10-17)11-18-14(4)5/h8-10,13-14,18H,7,11-12H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline?
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 62134843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).