N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

C17H20BrN3 — CID 62287672

IUPACN-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-2-5-15(18)6-3-13)17-9-4-14(11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3
InChIKeyNLSMTLJDLXDGNH-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62287672) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62287672
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-2-5-15(18)6-3-13)17-9-4-14(11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3
InChIKeyNLSMTLJDLXDGNH-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024808
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
3-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106916818
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 80629554
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62278694
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 107379846
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (CID 62287672) is N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(Br)cc1)c1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is NLSMTLJDLXDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-21(12-13-2-5-15(18)6-3-13)17-9-4-14(11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 346.27 g/mol, XLogP of 3.73, 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]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).