1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride

C15H25Cl2N3O — CID 21153854

IUPAC1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
SMILESCCN(CC)CCCNC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C15H24ClN3O.ClH/c1-4-19(5-2)11-7-10-17-15(20)18-14-12(3)8-6-9-13(14)16;/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,17,18,20);1H
InChIKeyQQPDLVWAAHBWBN-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride

1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride (PubChem CID 21153854) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
PubChem CID21153854
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
SMILESCCN(CC)CCCNC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C15H24ClN3O.ClH/c1-4-19(5-2)11-7-10-17-15(20)18-14-12(3)8-6-9-13(14)16;/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,17,18,20);1H
InChIKeyQQPDLVWAAHBWBN-UHFFFAOYSA-N
XLogP3.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea;hydrochloride
CID 3060892
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride (CID 21153854) is 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride is CCN(CC)CCCNC(=O)Nc1c(C)cccc1Cl.Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride?
The InChIKey is QQPDLVWAAHBWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O.ClH/c1-4-19(5-2)11-7-10-17-15(20)18-14-12(3)8-6-9-13(14)16;/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,17,18,20);1H.
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride?
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride is sourced from PubChem (CID 21153854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).