1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine

C15H25ClN2O2 — CID 62642834

IUPAC1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCOC)CCC(N)c1ccccc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-19-11-9-18(10-12-20-2)8-7-15(17)13-5-3-4-6-14(13)16/h3-6,15H,7-12,17H2,1-2H3
InChIKeyHIRCPVJKVWTAEP-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.32
Rot. Bonds10

About 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine

1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine (PubChem CID 62642834) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
PubChem CID62642834
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCOC)CCC(N)c1ccccc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-19-11-9-18(10-12-20-2)8-7-15(17)13-5-3-4-6-14(13)16/h3-6,15H,7-12,17H2,1-2H3
InChIKeyHIRCPVJKVWTAEP-UHFFFAOYSA-N
XLogP2.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82953010
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628932
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine (CID 62642834) is 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine is COCCN(CCOC)CCC(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is HIRCPVJKVWTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-19-11-9-18(10-12-20-2)8-7-15(17)13-5-3-4-6-14(13)16/h3-6,15H,7-12,17H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 300.83 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 62642834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).