1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

C16H27ClN2O — CID 79053738

IUPAC1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1cc(Cl)ccc1OC)C(C)(C)N(C)C
InChIInChI=1S/C16H27ClN2O/c1-7-10-18-15(16(2,3)19(4)5)13-11-12(17)8-9-14(13)20-6/h8-9,11,15,18H,7,10H2,1-6H3
InChIKeyVTKCXEYSTPJNPI-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.73
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (PubChem CID 79053738) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
PubChem CID79053738
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1cc(Cl)ccc1OC)C(C)(C)N(C)C
InChIInChI=1S/C16H27ClN2O/c1-7-10-18-15(16(2,3)19(4)5)13-11-12(17)8-9-14(13)20-6/h8-9,11,15,18H,7,10H2,1-6H3
InChIKeyVTKCXEYSTPJNPI-UHFFFAOYSA-N
XLogP3.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79058856
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135548
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443
1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053319
1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064289
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (CID 79053738) is 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is CCCNC(c1cc(Cl)ccc1OC)C(C)(C)N(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is VTKCXEYSTPJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-7-10-18-15(16(2,3)19(4)5)13-11-12(17)8-9-14(13)20-6/h8-9,11,15,18H,7,10H2,1-6H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79053738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).