N-methyl-4-phenylmethoxyaniline;hydrochloride

C14H16ClNO — CID 75481675

IUPACN-methyl-4-phenylmethoxyaniline;hydrochloride
SMILESCNc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;/h2-10,15H,11H2,1H3;1H
InChIKeyMCJSUFFFZSUWBT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-4-phenylmethoxyaniline;hydrochloride

N-methyl-4-phenylmethoxyaniline;hydrochloride (PubChem CID 75481675) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-methyl-4-phenylmethoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-phenylmethoxyaniline;hydrochloride
PubChem CID75481675
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-methyl-4-phenylmethoxyaniline;hydrochloride
SMILESCNc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;/h2-10,15H,11H2,1H3;1H
InChIKeyMCJSUFFFZSUWBT-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.73
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

4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
2-[[4-(methylamino)phenoxy]methyl]anthracene-9,10-dione
CID 67471932
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylmethoxyaniline;hydrochloride?
The IUPAC name of N-methyl-4-phenylmethoxyaniline;hydrochloride (CID 75481675) is N-methyl-4-phenylmethoxyaniline;hydrochloride.
What is the SMILES notation for N-methyl-4-phenylmethoxyaniline;hydrochloride?
The canonical SMILES for N-methyl-4-phenylmethoxyaniline;hydrochloride is CNc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-4-phenylmethoxyaniline;hydrochloride?
The InChIKey is MCJSUFFFZSUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;/h2-10,15H,11H2,1H3;1H.
What are the key properties of N-methyl-4-phenylmethoxyaniline;hydrochloride?
N-methyl-4-phenylmethoxyaniline;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylmethoxyaniline;hydrochloride is sourced from PubChem (CID 75481675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).