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

C14H22ClNO2 — CID 62789352

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-4-8-16-13(7-9-17-2)12-10-11(15)5-6-14(12)18-3/h5-6,10,13,16H,4,7-9H2,1-3H3
InChIKeyUBVJENLWOABZLE-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.43
Rot. Bonds8

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

1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 62789352) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID62789352
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-4-8-16-13(7-9-17-2)12-10-11(15)5-6-14(12)18-3/h5-6,10,13,16H,4,7-9H2,1-3H3
InChIKeyUBVJENLWOABZLE-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135548
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065341
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine (CID 62789352) is 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is UBVJENLWOABZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-8-16-13(7-9-17-2)12-10-11(15)5-6-14(12)18-3/h5-6,10,13,16H,4,7-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.43, 8 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)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 62789352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).