N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C17H27BrN2 — CID 106624214

IUPACN-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccc(CN(CC2CCCNC2)C(C)C)cc1Br
InChIInChI=1S/C17H27BrN2/c1-13(2)20(12-16-5-4-8-19-10-16)11-15-7-6-14(3)17(18)9-15/h6-7,9,13,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyUWHPLZSJSZTPKL-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.97
Rot. Bonds5

About N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106624214) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106624214
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCc1ccc(CN(CC2CCCNC2)C(C)C)cc1Br
InChIInChI=1S/C17H27BrN2/c1-13(2)20(12-16-5-4-8-19-10-16)11-15-7-6-14(3)17(18)9-15/h6-7,9,13,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyUWHPLZSJSZTPKL-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623970
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106624214) is N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is Cc1ccc(CN(CC2CCCNC2)C(C)C)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is UWHPLZSJSZTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13(2)20(12-16-5-4-8-19-10-16)11-15-7-6-14(3)17(18)9-15/h6-7,9,13,16,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106624214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).