7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H20Cl2N2 — CID 142014675

IUPAC7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(N)c1ccc2c(c1)C(NC)CCC2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2/c1-11(22)12-3-5-15-14(6-8-19(23-2)16(15)9-12)13-4-7-17(20)18(21)10-13/h3-5,7,9-10,14,19,23H,1,6,8,22H2,2H3
InChIKeyICXQGVHPHHZVPF-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.11
Rot. Bonds3

About 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 142014675) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID142014675
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(N)c1ccc2c(c1)C(NC)CCC2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2/c1-11(22)12-3-5-15-14(6-8-19(23-2)16(15)9-12)13-4-7-17(20)18(21)10-13/h3-5,7,9-10,14,19,23H,1,6,8,22H2,2H3
InChIKeyICXQGVHPHHZVPF-UHFFFAOYSA-N
XLogP5.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Desmethylsertraline
CID 114743
Dasotraline
CID 9947999
n-Methyl sertraline
CID 18642483
3-Dechloro Sertraline Hydrochloride
CID 13408710
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 577181
Sertraline(1+)
CID 1616961

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 142014675) is 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is C=C(N)c1ccc2c(c1)C(NC)CCC2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ICXQGVHPHHZVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-11(22)12-3-5-15-14(6-8-19(23-2)16(15)9-12)13-4-7-17(20)18(21)10-13/h3-5,7,9-10,14,19,23H,1,6,8,22H2,2H3.
What are the key properties of 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 347.29 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 142014675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).