N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine

C19H17BrN2O — CID 68841468

IUPACN-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine
SMILESCOc1ccc(Cc2cc(Br)cc(Nc3cccnc3)c2)cc1
InChIInChI=1S/C19H17BrN2O/c1-23-19-6-4-14(5-7-19)9-15-10-16(20)12-18(11-15)22-17-3-2-8-21-13-17/h2-8,10-13,22H,9H2,1H3
InChIKeyLVCXOTGVRTZEAO-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.19
Rot. Bonds5

About N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine

N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine (PubChem CID 68841468) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine
PubChem CID68841468
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine
SMILESCOc1ccc(Cc2cc(Br)cc(Nc3cccnc3)c2)cc1
InChIInChI=1S/C19H17BrN2O/c1-23-19-6-4-14(5-7-19)9-15-10-16(20)12-18(11-15)22-17-3-2-8-21-13-17/h2-8,10-13,22H,9H2,1H3
InChIKeyLVCXOTGVRTZEAO-UHFFFAOYSA-N
XLogP5.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
N-[3-(1-benzothiophen-4-yl)-5-[(4-methoxyphenyl)methoxy]phenyl]pyridin-3-amine
CID 15604055
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
4,6-bis[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 123556531
3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122289361
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine?
The IUPAC name of N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine (CID 68841468) is N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine.
What is the SMILES notation for N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine?
The canonical SMILES for N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine is COc1ccc(Cc2cc(Br)cc(Nc3cccnc3)c2)cc1.
What is the InChIKey of N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine?
The InChIKey is LVCXOTGVRTZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-23-19-6-4-14(5-7-19)9-15-10-16(20)12-18(11-15)22-17-3-2-8-21-13-17/h2-8,10-13,22H,9H2,1H3.
What are the key properties of N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine?
N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine has a molecular weight of 369.26 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-[(4-methoxyphenyl)methyl]phenyl]pyridin-3-amine is sourced from PubChem (CID 68841468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).