N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

C15H24BrClN2 — CID 120858313

IUPACN-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCCN(Cc1ccccc1Br)CC1CCNCC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16;/h3-6,13,17H,2,7-12H2,1H3;1H
InChIKeyJROHWYHCVROSDD-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (PubChem CID 120858313) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
PubChem CID120858313
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC NameN-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCCN(Cc1ccccc1Br)CC1CCNCC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16;/h3-6,13,17H,2,7-12H2,1H3;1H
InChIKeyJROHWYHCVROSDD-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309
N-[(2-bromo-4-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79703825
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (CID 120858313) is N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is CCN(Cc1ccccc1Br)CC1CCNCC1.Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The InChIKey is JROHWYHCVROSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2.ClH/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16;/h3-6,13,17H,2,7-12H2,1H3;1H.
What are the key properties of N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride has a molecular weight of 347.73 g/mol, XLogP of 3.69, 5 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-(piperidin-4-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 120858313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).