N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

C17H20BrN3 — CID 62293133

IUPACN-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(Br)c1)c1cccc(CNC2CC2)n1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-4-2-5-14(18)10-13)17-7-3-6-16(20-17)11-19-15-8-9-15/h2-7,10,15,19H,8-9,11-12H2,1H3
InChIKeyMLBDNQYSSNDKHT-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.73
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62293133) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62293133
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(Br)c1)c1cccc(CNC2CC2)n1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-4-2-5-14(18)10-13)17-7-3-6-16(20-17)11-19-15-8-9-15/h2-7,10,15,19H,8-9,11-12H2,1H3
InChIKeyMLBDNQYSSNDKHT-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

6-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284157
6-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62281585
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
6-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62295485
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
6-[(cyclopropylamino)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62292802
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281474
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 62293980
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66449274

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (CID 62293133) is N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is CN(Cc1cccc(Br)c1)c1cccc(CNC2CC2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is MLBDNQYSSNDKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-21(12-13-4-2-5-14(18)10-13)17-7-3-6-16(20-17)11-19-15-8-9-15/h2-7,10,15,19H,8-9,11-12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
N-[(3-bromophenyl)methyl]-6-[(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-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62293133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).