N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine

C16H25BrN2 — CID 66480396

IUPACN-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(Br)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H25BrN2/c1-3-9-19(15-5-4-8-18-11-15)12-14-6-7-16(17)13(2)10-14/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyXDSWPTHFLDOTQK-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.72
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine

N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 66480396) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID66480396
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(Br)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H25BrN2/c1-3-9-19(15-5-4-8-18-11-15)12-14-6-7-16(17)13(2)10-14/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyXDSWPTHFLDOTQK-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-[(3-bromo-5-nitrophenyl)methyl]-N-propylpiperidin-3-amine
CID 103351310

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine (CID 66480396) is N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1ccc(Br)c(C)c1)C1CCCNC1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is XDSWPTHFLDOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-9-19(15-5-4-8-18-11-15)12-14-6-7-16(17)13(2)10-14/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine?
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 325.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 66480396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).