1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine

C15H25ClN2O — CID 65021962

IUPAC1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)14(11-17)12-6-7-15(19-3)13(16)10-12/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3
InChIKeyHEOGTTAMSWWUID-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.47
Rot. Bonds8

About 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine

1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine (PubChem CID 65021962) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
PubChem CID65021962
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)14(11-17)12-6-7-15(19-3)13(16)10-12/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3
InChIKeyHEOGTTAMSWWUID-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65021783
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116907396
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 65021970

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine (CID 65021962) is 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is HEOGTTAMSWWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)14(11-17)12-6-7-15(19-3)13(16)10-12/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine?
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 65021962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).