N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline

C24H25NO — CID 3797697

IUPACN-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline
SMILESCc1ccc(N(Cc2ccco2)C(C#Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H25NO/c1-19(2)24(16-13-21-8-5-4-6-9-21)25(18-23-10-7-17-26-23)22-14-11-20(3)12-15-22/h4-12,14-15,17,19,24H,18H2,1-3H3
InChIKeyKXCDSZYPHQDBNN-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.67
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline

N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline (PubChem CID 3797697) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline
PubChem CID3797697
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline
SMILESCc1ccc(N(Cc2ccco2)C(C#Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H25NO/c1-19(2)24(16-13-21-8-5-4-6-9-21)25(18-23-10-7-17-26-23)22-14-11-20(3)12-15-22/h4-12,14-15,17,19,24H,18H2,1-3H3
InChIKeyKXCDSZYPHQDBNN-UHFFFAOYSA-N
XLogP5.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 86910738
2-[N-[1-(furan-2-yl)ethyl]-4-methylanilino]acetic acid
CID 65059021
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
CID 11901321
(S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
CID 11901322
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline (CID 3797697) is N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline is Cc1ccc(N(Cc2ccco2)C(C#Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline?
The InChIKey is KXCDSZYPHQDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-19(2)24(16-13-21-8-5-4-6-9-21)25(18-23-10-7-17-26-23)22-14-11-20(3)12-15-22/h4-12,14-15,17,19,24H,18H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline?
N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline has a molecular weight of 343.47 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline is sourced from PubChem (CID 3797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).