1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine

C10H14Cl2N2O — CID 116932842

IUPAC1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(N)CCN)c(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-15-8-3-2-6(7(14)4-5-13)9(11)10(8)12/h2-3,7H,4-5,13-14H2,1H3
InChIKeyIFBATHKKWQRTMJ-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.35
Rot. Bonds4

About 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine

1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine (PubChem CID 116932842) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
PubChem CID116932842
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(N)CCN)c(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-15-8-3-2-6(7(14)4-5-13)9(11)10(8)12/h2-3,7H,4-5,13-14H2,1H3
InChIKeyIFBATHKKWQRTMJ-UHFFFAOYSA-N
XLogP2.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2,3-dichloro-4-methoxyphenyl)propane-1-thiol
CID 116831304
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
CID 116830340
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
1-(2-chloro-3-methoxyphenyl)butan-1-amine
CID 86262887
(1R)-1-(2-chloro-3,4-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171202005
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pent-4-en-1-amine
CID 171221566

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine (CID 116932842) is 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine is COc1ccc(C(N)CCN)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is IFBATHKKWQRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-15-8-3-2-6(7(14)4-5-13)9(11)10(8)12/h2-3,7H,4-5,13-14H2,1H3.
What are the key properties of 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine?
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 249.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 116932842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).