[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

C22H24ClNO2 — CID 176508425

IUPAC[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCCOc1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H23NO2.ClH/c1-2-24-20-10-6-9-19(14-20)21-12-11-18(15-23)13-22(21)25-16-17-7-4-3-5-8-17;/h3-14H,2,15-16,23H2,1H3;1H
InChIKeyKVHWXGSLWRYQQI-UHFFFAOYSA-N
MW369.89 g/mol
LogP5.21
Rot. Bonds7

About [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (PubChem CID 176508425) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
PubChem CID176508425
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCCOc1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H23NO2.ClH/c1-2-24-20-10-6-9-19(14-20)21-12-11-18(15-23)13-22(21)25-16-17-7-4-3-5-8-17;/h3-14H,2,15-16,23H2,1H3;1H
InChIKeyKVHWXGSLWRYQQI-UHFFFAOYSA-N
XLogP5.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
2,4-diethoxy-1-phenylbenzene
CID 132889855
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-[2-[3-[4-(aminomethyl)-2-[2-(diaminomethylideneamino)ethoxy]phenyl]phenoxy]ethyl]guanidine
CID 11531116
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
[4-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508465
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (CID 176508425) is [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is CCOc1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl.
What is the InChIKey of [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The InChIKey is KVHWXGSLWRYQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2.ClH/c1-2-24-20-10-6-9-19(14-20)21-12-11-18(15-23)13-22(21)25-16-17-7-4-3-5-8-17;/h3-14H,2,15-16,23H2,1H3;1H.
What are the key properties of [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 176508425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).