3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline

C27H27N — CID 59308386

IUPAC3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline
SMILESCc1cc(C)cc(N(c2ccccc2-c2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C27H27N/c1-19(2)28(23-17-20(3)16-21(4)18-23)27-15-8-7-13-26(27)25-14-9-11-22-10-5-6-12-24(22)25/h5-19H,1-4H3
InChIKeyXTAOFLYTNKCLKG-UHFFFAOYSA-N
MW365.52 g/mol
LogP7.67
Rot. Bonds4

About 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline

3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline (PubChem CID 59308386) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline
PubChem CID59308386
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline
SMILESCc1cc(C)cc(N(c2ccccc2-c2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C27H27N/c1-19(2)28(23-17-20(3)16-21(4)18-23)27-15-8-7-13-26(27)25-14-9-11-22-10-5-6-12-24(22)25/h5-19H,1-4H3
InChIKeyXTAOFLYTNKCLKG-UHFFFAOYSA-N
XLogP7.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-3-naphthalen-1-yl-N-propan-2-ylaniline
CID 59308532
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine
CID 158936779
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
N-(3-naphthalen-1-ylphenyl)-N-propan-2-ylnaphthalen-2-amine
CID 59308147
N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine
CID 59307757
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline?
The IUPAC name of 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline (CID 59308386) is 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline.
What is the SMILES notation for 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline?
The canonical SMILES for 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline is Cc1cc(C)cc(N(c2ccccc2-c2cccc3ccccc23)C(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline?
The InChIKey is XTAOFLYTNKCLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-19(2)28(23-17-20(3)16-21(4)18-23)27-15-8-7-13-26(27)25-14-9-11-22-10-5-6-12-24(22)25/h5-19H,1-4H3.
What are the key properties of 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline?
3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline has a molecular weight of 365.52 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline is sourced from PubChem (CID 59308386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).