N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine

C15H21Cl2NO — CID 103907260

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
SMILESCCC(NC1CCOC(C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-3-15(13-5-4-11(16)9-14(13)17)18-12-6-7-19-10(2)8-12/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3
InChIKeyPHYLEALABUGHMC-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.60
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine

N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine (PubChem CID 103907260) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
PubChem CID103907260
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
SMILESCCC(NC1CCOC(C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-3-15(13-5-4-11(16)9-14(13)17)18-12-6-7-19-10(2)8-12/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3
InChIKeyPHYLEALABUGHMC-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629197
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
N-[1-(3-chlorophenyl)-2,2-difluoroethyl]-2-methyloxan-4-amine
CID 136560538
1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
CID 54907161
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
CID 62093760
4-[bromo-(2,4-dichlorophenyl)methyl]-2-methyloxolane
CID 114826962
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine (CID 103907260) is N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine is CCC(NC1CCOC(C)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine?
The InChIKey is PHYLEALABUGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-15(13-5-4-11(16)9-14(13)17)18-12-6-7-19-10(2)8-12/h4-5,9-10,12,15,18H,3,6-8H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine?
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine has a molecular weight of 302.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103907260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).