1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine

C21H19Cl2N3 — CID 174337362

IUPAC1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1
InChIInChI=1S/C21H19Cl2N3/c1-12-2-5-20-16(8-12)17-10-15(9-13(6-7-24)21(17)26-20)25-14-3-4-18(22)19(23)11-14/h2-5,8-11,25-26H,6-7,24H2,1H3
InChIKeyHAWSFILCQQSQLL-UHFFFAOYSA-N
MW384.31 g/mol
LogP6.18
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine

1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine (PubChem CID 174337362) has the molecular formula C21H19Cl2N3 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
PubChem CID174337362
Molecular FormulaC21H19Cl2N3
Molecular Weight384.31 g/mol
Exact Mass383.10
IUPAC Name1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1
InChIInChI=1S/C21H19Cl2N3/c1-12-2-5-20-16(8-12)17-10-15(9-13(6-7-24)21(17)26-20)25-14-3-4-18(22)19(23)11-14/h2-5,8-11,25-26H,6-7,24H2,1H3
InChIKeyHAWSFILCQQSQLL-UHFFFAOYSA-N
XLogP6.18
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine (CID 174337362) is 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine is Cc1ccc2[nH]c3c(CCN)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine?
The InChIKey is HAWSFILCQQSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3/c1-12-2-5-20-16(8-12)17-10-15(9-13(6-7-24)21(17)26-20)25-14-3-4-18(22)19(23)11-14/h2-5,8-11,25-26H,6-7,24H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine?
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine has a molecular weight of 384.31 g/mol, XLogP of 6.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine is sourced from PubChem (CID 174337362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).