N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline

C17H21N — CID 66545590

IUPACN-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
SMILESCC(C)(C)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-17(2,3)16(14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-/m0/s1
InChIKeyJVYKUEQWDCGIGX-INIZCTEOSA-N
MW239.36 g/mol
LogP4.89
Rot. Bonds3

About N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline

N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline (PubChem CID 66545590) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
PubChem CID66545590
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
SMILESCC(C)(C)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-17(2,3)16(14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-/m0/s1
InChIKeyJVYKUEQWDCGIGX-INIZCTEOSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
2,2-dimethyl-1-phenyl-N-propan-2-ylpropan-1-amine
CID 15739872
2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
CID 607318
anilino(phenyl)methanethiol
CID 130255303
ethyl (2S,3R)-3-anilino-2-hydroxy-2-methyl-3-phenylpropanoate
CID 102168134
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2,2-diethoxy-1-phenylbut-3-enyl)aniline
CID 139263417
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693312
(2-bromo-2-methyl-1-phenylpropyl)hydrazine
CID 53402491

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline (CID 66545590) is N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline is CC(C)(C)[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline?
The InChIKey is JVYKUEQWDCGIGX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N/c1-17(2,3)16(14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16,18H,1-3H3/t16-/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline?
N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline is sourced from PubChem (CID 66545590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).