N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine

C15H23BrN2 — CID 114421302

IUPACN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
SMILESCC1CCNC(CN(C)Cc2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-12-7-8-17-14(9-12)11-18(2)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyJNLZVQYVVDCYAT-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine

N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine (PubChem CID 114421302) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
PubChem CID114421302
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
SMILESCC1CCNC(CN(C)Cc2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-12-7-8-17-14(9-12)11-18(2)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyJNLZVQYVVDCYAT-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 114421220
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 114430836
1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
CID 114430837
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735603
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine (CID 114421302) is N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine is CC1CCNC(CN(C)Cc2ccccc2Br)C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine?
The InChIKey is JNLZVQYVVDCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12-7-8-17-14(9-12)11-18(2)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine?
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine has a molecular weight of 311.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 114421302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).