N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline

C22H19N — CID 102188659

IUPACN-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
SMILESCc1cccc([C@H](C#Cc2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C22H19N/c1-18-9-8-12-20(17-18)22(23-21-13-6-3-7-14-21)16-15-19-10-4-2-5-11-19/h2-14,17,22-23H,1H3/t22-/m0/s1
InChIKeyBLEBXABRENOVHA-QFIPXVFZSA-N
MW297.40 g/mol
LogP5.20
Rot. Bonds3

About N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline

N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline (PubChem CID 102188659) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline.

Molecular Properties

Compound NameN-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
PubChem CID102188659
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
SMILESCc1cccc([C@H](C#Cc2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C22H19N/c1-18-9-8-12-20(17-18)22(23-21-13-6-3-7-14-21)16-15-19-10-4-2-5-11-19/h2-14,17,22-23H,1H3/t22-/m0/s1
InChIKeyBLEBXABRENOVHA-QFIPXVFZSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]aniline
CID 11371889
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]aniline
CID 45358247
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81361410
methyl 4-(3-methylanilino)-4-phenylbut-2-ynoate
CID 135025787
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
CID 172557248
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
2-(1,3-diphenylprop-2-ynyl)-1,3,5-trimethylbenzene
CID 53349239
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline?
The IUPAC name of N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline (CID 102188659) is N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline.
What is the SMILES notation for N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline?
The canonical SMILES for N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline is Cc1cccc([C@H](C#Cc2ccccc2)Nc2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline?
The InChIKey is BLEBXABRENOVHA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19N/c1-18-9-8-12-20(17-18)22(23-21-13-6-3-7-14-21)16-15-19-10-4-2-5-11-19/h2-14,17,22-23H,1H3/t22-/m0/s1.
What are the key properties of N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline?
N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline is sourced from PubChem (CID 102188659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).