N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline

C19H22N2O — CID 110840948

IUPACN-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-15-6-10-17(11-7-15)21-20-14-16-8-12-19(13-9-16)22-18-4-2-3-5-18/h6-14,18,21H,2-5H2,1H3
InChIKeySXHVXUDYCUPBRR-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.76
Rot. Bonds5

About N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline

N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 110840948) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline
PubChem CID110840948
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-15-6-10-17(11-7-15)21-20-14-16-8-12-19(13-9-16)22-18-4-2-3-5-18/h6-14,18,21H,2-5H2,1H3
InChIKeySXHVXUDYCUPBRR-UHFFFAOYSA-N
XLogP4.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclohexyloxyphenyl)methylideneamino]methanamine
CID 110839617
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
2-[2-[(4-cyclohexyloxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840083
N-[(4-cyclopentyloxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839835
1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine
CID 123913472
4-cycloheptyloxy-N-methylaniline
CID 82930112
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
4-cyclopentyloxybenzaldehyde
CID 3152724
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
(1S)-1-methyl-4-(4-methylphenoxy)cycloheptane
CID 142216583
1-[(E)-(4-cyclooctyloxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 45022548

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline (CID 110840948) is N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline is Cc1ccc(NN=Cc2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is SXHVXUDYCUPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-6-10-17(11-7-15)21-20-14-16-8-12-19(13-9-16)22-18-4-2-3-5-18/h6-14,18,21H,2-5H2,1H3.
What are the key properties of N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline?
N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 294.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 110840948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).