N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine

C20H19BrN2 — CID 138969817

IUPACN-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1N(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2/c1-16-6-5-13-22-20(16)23(14-17-7-3-2-4-8-17)15-18-9-11-19(21)12-10-18/h2-13H,14-15H2,1H3
InChIKeyOPDWOOHFYQTBAE-UHFFFAOYSA-N
MW367.29 g/mol
LogP5.36
Rot. Bonds5

About N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine

N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine (PubChem CID 138969817) has the molecular formula C20H19BrN2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine
PubChem CID138969817
Molecular FormulaC20H19BrN2
Molecular Weight367.29 g/mol
Exact Mass366.07
IUPAC NameN-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1N(Cc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2/c1-16-6-5-13-22-20(16)23(14-17-7-3-2-4-8-17)15-18-9-11-19(21)12-10-18/h2-13H,14-15H2,1H3
InChIKeyOPDWOOHFYQTBAE-UHFFFAOYSA-N
XLogP5.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tripelennamine
CID 5587
Zimelidine
CID 5365247
Tripelennamine Hydrochloride
CID 9066
Zimelidine Dihydrochloride
CID 6436006
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
PETT deriv. 6
CID 492697
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine (CID 138969817) is N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine is Cc1cccnc1N(Cc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is OPDWOOHFYQTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2/c1-16-6-5-13-22-20(16)23(14-17-7-3-2-4-8-17)15-18-9-11-19(21)12-10-18/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine?
N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 367.29 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-bromophenyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 138969817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).