4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline

C21H24N2 — CID 165122744

IUPAC4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
SMILESCc1ccc(N)cc1CN(C)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H24N2/c1-15-11-12-19(22)13-18(15)14-23(3)16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-13,16H,14,22H2,1-3H3/t16-/m1/s1
InChIKeyVDCCGGIBUYGMIS-MRXNPFEDSA-N
MW304.44 g/mol
LogP4.92
Rot. Bonds4

About 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline

4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline (PubChem CID 165122744) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
PubChem CID165122744
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
SMILESCc1ccc(N)cc1CN(C)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H24N2/c1-15-11-12-19(22)13-18(15)14-23(3)16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-13,16H,14,22H2,1-3H3/t16-/m1/s1
InChIKeyVDCCGGIBUYGMIS-MRXNPFEDSA-N
XLogP4.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The IUPAC name of 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline (CID 165122744) is 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline.
What is the SMILES notation for 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The canonical SMILES for 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline is Cc1ccc(N)cc1CN(C)[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
The InChIKey is VDCCGGIBUYGMIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2/c1-15-11-12-19(22)13-18(15)14-23(3)16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-13,16H,14,22H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline?
4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline has a molecular weight of 304.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline is sourced from PubChem (CID 165122744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).