N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline

C13H15NO — CID 15504952

IUPACN-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2C=CC=C2)cc1
InChIInChI=1S/C13H15NO/c1-15-13-8-6-12(7-9-13)14-10-11-4-2-3-5-11/h2-9,11,14H,10H2,1H3
InChIKeyPKUCVCYWVZPYES-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.85
Rot. Bonds4

About N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline

N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline (PubChem CID 15504952) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline
PubChem CID15504952
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2C=CC=C2)cc1
InChIInChI=1S/C13H15NO/c1-15-13-8-6-12(7-9-13)14-10-11-4-2-3-5-11/h2-9,11,14H,10H2,1H3
InChIKeyPKUCVCYWVZPYES-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
(5S)-5-[(4-methoxyanilino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 59735380
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline?
The IUPAC name of N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline (CID 15504952) is N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline?
The canonical SMILES for N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline is COc1ccc(NCC2C=CC=C2)cc1.
What is the InChIKey of N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline?
The InChIKey is PKUCVCYWVZPYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-13-8-6-12(7-9-13)14-10-11-4-2-3-5-11/h2-9,11,14H,10H2,1H3.
What are the key properties of N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline?
N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline has a molecular weight of 201.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 15504952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).