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

C16H20BrN3 — CID 62287139

IUPACN-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
SMILESCCNCc1cc(N(C)Cc2ccc(Br)cc2)ccn1
InChIInChI=1S/C16H20BrN3/c1-3-18-11-15-10-16(8-9-19-15)20(2)12-13-4-6-14(17)7-5-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyFFBFMSBCOSQSPX-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.59
Rot. Bonds6

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

N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine (PubChem CID 62287139) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
PubChem CID62287139
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
SMILESCCNCc1cc(N(C)Cc2ccc(Br)cc2)ccn1
InChIInChI=1S/C16H20BrN3/c1-3-18-11-15-10-16(8-9-19-15)20(2)12-13-4-6-14(17)7-5-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyFFBFMSBCOSQSPX-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
N-(cyclopentylmethyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 63655101
2-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79486163
N-(3,5-dimethylphenyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 62293287
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
2-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-4-amine
CID 62283982
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine (CID 62287139) is N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine is CCNCc1cc(N(C)Cc2ccc(Br)cc2)ccn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine?
The InChIKey is FFBFMSBCOSQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-18-11-15-10-16(8-9-19-15)20(2)12-13-4-6-14(17)7-5-13/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine?
N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 62287139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).