3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride

C18H22Cl2N2O2 — CID 120501253

IUPAC3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OCc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-12(13(2)20)18(22)21-16-8-3-4-9-17(16)23-11-14-6-5-7-15(19)10-14;/h3-10,12-13H,11,20H2,1-2H3,(H,21,22);1H
InChIKeyPTUIETVZAATJJT-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.26
Rot. Bonds6

About 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride

3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501253) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
PubChem CID120501253
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OCc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-12(13(2)20)18(22)21-16-8-3-4-9-17(16)23-11-14-6-5-7-15(19)10-14;/h3-10,12-13H,11,20H2,1-2H3,(H,21,22);1H
InChIKeyPTUIETVZAATJJT-UHFFFAOYSA-N
XLogP4.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
CID 125466806
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 124594929
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride (CID 120501253) is 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)Nc1ccccc1OCc1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride?
The InChIKey is PTUIETVZAATJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2.ClH/c1-12(13(2)20)18(22)21-16-8-3-4-9-17(16)23-11-14-6-5-7-15(19)10-14;/h3-10,12-13H,11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride has a molecular weight of 369.29 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).