1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine

C13H17Cl2NO — CID 62600088

IUPAC1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1Cl)CC1CCCO1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12H,1-2,5-6,8,16H2
InChIKeyNOPPHFLPFIPSKK-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine

1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine (PubChem CID 62600088) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
PubChem CID62600088
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1Cl)CC1CCCO1
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12H,1-2,5-6,8,16H2
InChIKeyNOPPHFLPFIPSKK-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine (CID 62600088) is 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine is NC(Cc1ccc(Cl)cc1Cl)CC1CCCO1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is NOPPHFLPFIPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12H,1-2,5-6,8,16H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 274.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62600088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).