4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline

C21H30N2 — CID 162644264

IUPAC4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
SMILESCCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C
InChIInChI=1S/C21H30N2/c1-5-23-21-9-7-18(14-20(21)15(2)3)13-19-8-6-17(10-11-22)12-16(19)4/h6-9,12,14-15,23H,5,10-11,13,22H2,1-4H3
InChIKeyDNTOLFXKMLZNNX-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.64
Rot. Bonds7

About 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline

4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline (PubChem CID 162644264) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline.

Molecular Properties

Compound Name4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
PubChem CID162644264
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
SMILESCCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C
InChIInChI=1S/C21H30N2/c1-5-23-21-9-7-18(14-20(21)15(2)3)13-19-8-6-17(10-11-22)12-16(19)4/h6-9,12,14-15,23H,5,10-11,13,22H2,1-4H3
InChIKeyDNTOLFXKMLZNNX-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline?
The IUPAC name of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline (CID 162644264) is 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline.
What is the SMILES notation for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline?
The canonical SMILES for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline is CCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C.
What is the InChIKey of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline?
The InChIKey is DNTOLFXKMLZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-23-21-9-7-18(14-20(21)15(2)3)13-19-8-6-17(10-11-22)12-16(19)4/h6-9,12,14-15,23H,5,10-11,13,22H2,1-4H3.
What are the key properties of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline?
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline has a molecular weight of 310.49 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline is sourced from PubChem (CID 162644264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).