[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride

C21H21Cl2NO — CID 68789943

IUPAC[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(Cc2ccc(CN)cc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C21H20ClNO.ClH/c1-24-21-10-9-17(11-15-5-7-16(14-23)8-6-15)12-20(21)18-3-2-4-19(22)13-18;/h2-10,12-13H,11,14,23H2,1H3;1H
InChIKeyMAFQMQKRPSFWGE-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.49
Rot. Bonds5

About [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride

[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride (PubChem CID 68789943) has the molecular formula C21H21Cl2NO and a molecular weight of 374.31 g/mol. Its IUPAC name is [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
PubChem CID68789943
Molecular FormulaC21H21Cl2NO
Molecular Weight374.31 g/mol
Exact Mass373.10
IUPAC Name[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(Cc2ccc(CN)cc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C21H20ClNO.ClH/c1-24-21-10-9-17(11-15-5-7-16(14-23)8-6-15)12-20(21)18-3-2-4-19(22)13-18;/h2-10,12-13H,11,14,23H2,1H3;1H
InChIKeyMAFQMQKRPSFWGE-UHFFFAOYSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 86680598
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
CID 46213060
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride (CID 68789943) is [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride is COc1ccc(Cc2ccc(CN)cc2)cc1-c1cccc(Cl)c1.Cl.
What is the InChIKey of [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride?
The InChIKey is MAFQMQKRPSFWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO.ClH/c1-24-21-10-9-17(11-15-5-7-16(14-23)8-6-15)12-20(21)18-3-2-4-19(22)13-18;/h2-10,12-13H,11,14,23H2,1H3;1H.
What are the key properties of [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride?
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 68789943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).