4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline

C28H27N3 — CID 146643502

IUPAC4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline
SMILESCc1cc(N)ccc1C(C)(c1ccc(N)cc1C)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H27N3/c1-17-15-19(29)11-13-23(17)28(3,24-14-12-20(30)16-18(24)2)25-9-6-8-22-21-7-4-5-10-26(21)31-27(22)25/h4-16,31H,29-30H2,1-3H3
InChIKeyVRIHTRUUEIYWQI-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.46
Rot. Bonds3

About 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline

4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline (PubChem CID 146643502) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline
PubChem CID146643502
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline
SMILESCc1cc(N)ccc1C(C)(c1ccc(N)cc1C)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H27N3/c1-17-15-19(29)11-13-23(17)28(3,24-14-12-20(30)16-18(24)2)25-9-6-8-22-21-7-4-5-10-26(21)31-27(22)25/h4-16,31H,29-30H2,1-3H3
InChIKeyVRIHTRUUEIYWQI-UHFFFAOYSA-N
XLogP6.46
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[1-(9H-carbazol-1-yl)-1-fluoroethyl]-9H-carbazole
CID 175508269
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
5-methyl-11H-benzo[a]carbazole
CID 6454977
3-(9H-carbazol-1-yl)aniline
CID 67501137
azane;1,2-dimethyl-9H-carbazole
CID 174760951
9H-carbazol-1-ylboronic acid
CID 53421584
carbanide;ethane;2-methyl-9H-carbazol-1-ol;yttrium
CID 161379939
2-methyl-9H-carbazole-1,4-diamine
CID 68823015
2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid
CID 175399691
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-(3-amino-9H-carbazol-1-yl)-2-methylpropan-2-ol;hydrochloride
CID 121268602
2-methyl-1-(trifluoromethyl)-9H-carbazole
CID 173176935

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline?
The IUPAC name of 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline (CID 146643502) is 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline?
The canonical SMILES for 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline is Cc1cc(N)ccc1C(C)(c1ccc(N)cc1C)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline?
The InChIKey is VRIHTRUUEIYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-17-15-19(29)11-13-23(17)28(3,24-14-12-20(30)16-18(24)2)25-9-6-8-22-21-7-4-5-10-26(21)31-27(22)25/h4-16,31H,29-30H2,1-3H3.
What are the key properties of 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline?
4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline has a molecular weight of 405.55 g/mol, XLogP of 6.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-2-methylphenyl)-1-(9H-carbazol-1-yl)ethyl]-3-methylaniline is sourced from PubChem (CID 146643502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).