4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119335746

IUPAC4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(10-13)22-14(2)12-20-18(21)16-8-6-15(11-19)7-9-16;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyCEVZEPFIBRSQRY-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.07
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride (PubChem CID 119335746) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
PubChem CID119335746
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(10-13)22-14(2)12-20-18(21)16-8-6-15(11-19)7-9-16;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyCEVZEPFIBRSQRY-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
N-[2-[[N'-methyl-N-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111685664
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
4-[[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111685392
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
4-[[4-(aminomethyl)benzoyl]amino]-3-methylbutanoic acid
CID 81073583
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride (CID 119335746) is 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride is Cc1cccc(OC(C)CNC(=O)c2ccc(CN)cc2)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride?
The InChIKey is CEVZEPFIBRSQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(10-13)22-14(2)12-20-18(21)16-8-6-15(11-19)7-9-16;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119335746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).