5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride

C18H30Cl2N2O2 — CID 70063453

IUPAC5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride
SMILESCCCC(N)(CCC)CCCC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C18H29ClN2O2.ClH/c1-4-8-18(21,9-5-2)10-6-7-16(22)13-11-14(19)15(20)12-17(13)23-3;/h11-12H,4-10,20-21H2,1-3H3;1H
InChIKeyJLKFKYDNJNOADD-UHFFFAOYSA-N
MW377.36 g/mol
LogP5.00
Rot. Bonds10

About 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride

5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride (PubChem CID 70063453) has the molecular formula C18H30Cl2N2O2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride.

Molecular Properties

Compound Name5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride
PubChem CID70063453
Molecular FormulaC18H30Cl2N2O2
Molecular Weight377.36 g/mol
Exact Mass376.17
IUPAC Name5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride
SMILESCCCC(N)(CCC)CCCC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C18H29ClN2O2.ClH/c1-4-8-18(21,9-5-2)10-6-7-16(22)13-11-14(19)15(20)12-17(13)23-3;/h11-12H,4-10,20-21H2,1-3H3;1H
InChIKeyJLKFKYDNJNOADD-UHFFFAOYSA-N
XLogP5.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-(4,5-diamino-2-methoxyphenyl)octadecan-1-one
CID 154279335
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
3,3-dimethylbutyl 4-amino-5-chloro-2-methoxybenzoate
CID 60733590
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373
5,5,5-trifluoro-1-(2,4,5-trimethoxyphenyl)pentan-1-one
CID 115792191
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864
4-amino-N-[2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzamide
CID 19108393
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82627725

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride?
The IUPAC name of 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride (CID 70063453) is 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride.
What is the SMILES notation for 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride?
The canonical SMILES for 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride is CCCC(N)(CCC)CCCC(=O)c1cc(Cl)c(N)cc1OC.Cl.
What is the InChIKey of 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride?
The InChIKey is JLKFKYDNJNOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2.ClH/c1-4-8-18(21,9-5-2)10-6-7-16(22)13-11-14(19)15(20)12-17(13)23-3;/h11-12H,4-10,20-21H2,1-3H3;1H.
What are the key properties of 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride?
5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride has a molecular weight of 377.36 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride is sourced from PubChem (CID 70063453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).