3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine

C17H15Cl2NO — CID 107309264

IUPAC3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
SMILESCc1cc(OCc2cccc(Cl)c2Cl)ccc1C#CCN
InChIInChI=1S/C17H15Cl2NO/c1-12-10-15(8-7-13(12)5-3-9-20)21-11-14-4-2-6-16(18)17(14)19/h2,4,6-8,10H,9,11,20H2,1H3
InChIKeyTYCPLJPZFQJOPW-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.19
Rot. Bonds3

About 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine

3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine (PubChem CID 107309264) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
PubChem CID107309264
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
SMILESCc1cc(OCc2cccc(Cl)c2Cl)ccc1C#CCN
InChIInChI=1S/C17H15Cl2NO/c1-12-10-15(8-7-13(12)5-3-9-20)21-11-14-4-2-6-16(18)17(14)19/h2,4,6-8,10H,9,11,20H2,1H3
InChIKeyTYCPLJPZFQJOPW-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(2,3-difluorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83137695
2-chloro-1-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-3-fluorobenzene
CID 115984008
3-[4-[(4-chlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83134488
3-[4-[(6-methoxy-2-pyridinyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83137702
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
3-[2-[(3-chloro-4-fluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63879183
3-(4-heptoxy-2-methylphenyl)prop-2-yn-1-amine
CID 83134647
3-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706915
3-[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 83135199
3-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
4-[[4-(3-aminoprop-1-ynyl)-3-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 83137717
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine (CID 107309264) is 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine is Cc1cc(OCc2cccc(Cl)c2Cl)ccc1C#CCN.
What is the InChIKey of 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
The InChIKey is TYCPLJPZFQJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-12-10-15(8-7-13(12)5-3-9-20)21-11-14-4-2-6-16(18)17(14)19/h2,4,6-8,10H,9,11,20H2,1H3.
What are the key properties of 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine?
3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine has a molecular weight of 320.22 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 107309264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).