2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

C18H23BrN2 — CID 63815166

IUPAC2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(Br)ccc2CC(C)N)c1
InChIInChI=1S/C18H23BrN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3
InChIKeyKDWKWLDORHIUTM-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.28
Rot. Bonds5

About 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 63815166) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID63815166
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(Br)ccc2CC(C)N)c1
InChIInChI=1S/C18H23BrN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3
InChIKeyKDWKWLDORHIUTM-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
CID 63816184
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
4-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114902862
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63815965
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (CID 63815166) is 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2cc(Br)ccc2CC(C)N)c1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is KDWKWLDORHIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 347.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 63815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).