3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine

C15H24ClNO3 — CID 79492881

IUPAC3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1OC)C(OC)OC
InChIInChI=1S/C15H24ClNO3/c1-5-8-17-13(15(19-3)20-4)10-11-9-12(16)6-7-14(11)18-2/h6-7,9,13,15,17H,5,8,10H2,1-4H3
InChIKeyYJMADNNQOSTDIE-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.88
Rot. Bonds9

About 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine

3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine (PubChem CID 79492881) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
PubChem CID79492881
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1OC)C(OC)OC
InChIInChI=1S/C15H24ClNO3/c1-5-8-17-13(15(19-3)20-4)10-11-9-12(16)6-7-14(11)18-2/h6-7,9,13,15,17H,5,8,10H2,1-4H3
InChIKeyYJMADNNQOSTDIE-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354
N-[2-(5-chloro-2-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627450
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 115844824
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine (CID 79492881) is 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine is CCCNC(Cc1cc(Cl)ccc1OC)C(OC)OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine?
The InChIKey is YJMADNNQOSTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-5-8-17-13(15(19-3)20-4)10-11-9-12(16)6-7-14(11)18-2/h6-7,9,13,15,17H,5,8,10H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine?
3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine has a molecular weight of 301.81 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine is sourced from PubChem (CID 79492881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).