N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide

C16H19BrClNO — CID 75531511

IUPACN-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO.BrH/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;/h2-9,18H,10-12H2,1H3;1H
InChIKeyIKZXAUIXAIWLAR-UHFFFAOYSA-N
MW356.69 g/mol
LogP4.26
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide

N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide (PubChem CID 75531511) has the molecular formula C16H19BrClNO and a molecular weight of 356.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
PubChem CID75531511
Molecular FormulaC16H19BrClNO
Molecular Weight356.69 g/mol
Exact Mass355.03
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
SMILESBr.COc1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO.BrH/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;/h2-9,18H,10-12H2,1H3;1H
InChIKeyIKZXAUIXAIWLAR-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292530
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917867
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054290
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide (CID 75531511) is N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide is Br.COc1ccc(CCNCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide?
The InChIKey is IKZXAUIXAIWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.BrH/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;/h2-9,18H,10-12H2,1H3;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide?
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide has a molecular weight of 356.69 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide is sourced from PubChem (CID 75531511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).