N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

C15H21Cl2NO — CID 115851413

IUPACN-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C1CCOC1C
InChIInChI=1S/C15H21Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-6,10-11,15,18H,3,7-9H2,1-2H3
InChIKeyGROFFSHELLUZFY-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.46
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 115851413) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID115851413
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C1CCOC1C
InChIInChI=1S/C15H21Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-6,10-11,15,18H,3,7-9H2,1-2H3
InChIKeyGROFFSHELLUZFY-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
N-[7-bicyclo[4.1.0]heptanyl-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851206
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine
CID 103546661
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (CID 115851413) is N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C1CCOC1C.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is GROFFSHELLUZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-6,10-11,15,18H,3,7-9H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 302.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115851413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).