N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C15H23BrN2 — CID 120849544

IUPACN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1cc(Br)ccc1CN(C)CC1CCCNC1
InChIInChI=1S/C15H23BrN2/c1-12-8-15(16)6-5-14(12)11-18(2)10-13-4-3-7-17-9-13/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3
InChIKeyKZSJCOMXIPVCKA-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.19
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 120849544) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID120849544
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1cc(Br)ccc1CN(C)CC1CCCNC1
InChIInChI=1S/C15H23BrN2/c1-12-8-15(16)6-5-14(12)11-18(2)10-13-4-3-7-17-9-13/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3
InChIKeyKZSJCOMXIPVCKA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106623839

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 120849544) is N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is Cc1cc(Br)ccc1CN(C)CC1CCCNC1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is KZSJCOMXIPVCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12-8-15(16)6-5-14(12)11-18(2)10-13-4-3-7-17-9-13/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 120849544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).