N-[1-(4-methylphenoxy)ethyl]aniline

C15H17NO — CID 154338063

IUPACN-[1-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OC(C)Nc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h3-11,13,16H,1-2H3
InChIKeyDPZXPPVOVBPBDD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(4-methylphenoxy)ethyl]aniline

N-[1-(4-methylphenoxy)ethyl]aniline (PubChem CID 154338063) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)ethyl]aniline
PubChem CID154338063
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[1-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OC(C)Nc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h3-11,13,16H,1-2H3
InChIKeyDPZXPPVOVBPBDD-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenoxyethyl)aniline
CID 21395897
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
N-[1-(1-methoxyethoxy)ethyl]aniline
CID 89281099
trianilino-(4-methylanilino)phosphanium chloride
CID 21238664
2-(4-methylphenoxy)-1-phenylpropan-1-amine
CID 18069726
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-methylphenoxy)-2-phenoxyacetic acid
CID 151278222
N-(1-propoxyethyl)aniline
CID 173276827
anilino-[3-(4-methylphenoxy)phenyl]methanol
CID 142160349
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of N-[1-(4-methylphenoxy)ethyl]aniline (CID 154338063) is N-[1-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[1-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-[1-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OC(C)Nc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)ethyl]aniline?
The InChIKey is DPZXPPVOVBPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h3-11,13,16H,1-2H3.
What are the key properties of N-[1-(4-methylphenoxy)ethyl]aniline?
N-[1-(4-methylphenoxy)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 154338063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).