4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride

C10H13ClN2O — CID 22476066

IUPAC4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
SMILESCCOc1cc(C#N)ccc1CN.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-2-13-10-5-8(6-11)3-4-9(10)7-12;/h3-5H,2,7,12H2,1H3;1H
InChIKeyNAGMEYJSRBFATR-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.84
Rot. Bonds3

About 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride

4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride (PubChem CID 22476066) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
PubChem CID22476066
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
SMILESCCOc1cc(C#N)ccc1CN.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-2-13-10-5-8(6-11)3-4-9(10)7-12;/h3-5H,2,7,12H2,1H3;1H
InChIKeyNAGMEYJSRBFATR-UHFFFAOYSA-N
XLogP1.84
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
4-(aminomethyl)-3-methoxybenzonitrile
CID 18424090
4-(aminomethyl)-3-(trifluoromethoxy)benzonitrile
CID 46912351
4-ethoxy-3-propylbenzonitrile
CID 142917142
4-ethoxy-3-sulfanylbenzonitrile
CID 91874360
3-ethoxy-4-(trimethylsilylmethoxy)benzonitrile
CID 56529428
4-cyano-2-ethoxybenzenesulfonyl chloride
CID 151954691
3-ethoxy-4-hexoxybenzonitrile
CID 20993567
4-(aminomethyl)-3-bromobenzonitrile
CID 82673286
3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
CID 60656824
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
5-cyano-2-ethoxybenzoic acid
CID 51712745

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride?
The IUPAC name of 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride (CID 22476066) is 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride is CCOc1cc(C#N)ccc1CN.Cl.
What is the InChIKey of 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride?
The InChIKey is NAGMEYJSRBFATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c1-2-13-10-5-8(6-11)3-4-9(10)7-12;/h3-5H,2,7,12H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride?
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride is sourced from PubChem (CID 22476066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).