2-(aminomethyl)-4-phenylmethoxyaniline

C14H16N2O — CID 156839624

IUPAC2-(aminomethyl)-4-phenylmethoxyaniline
SMILESNCc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C14H16N2O/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-8H,9-10,15-16H2
InChIKeyQQVJAGFLWAGVTH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.31
Rot. Bonds4

About 2-(aminomethyl)-4-phenylmethoxyaniline

2-(aminomethyl)-4-phenylmethoxyaniline (PubChem CID 156839624) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(aminomethyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-phenylmethoxyaniline
PubChem CID156839624
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(aminomethyl)-4-phenylmethoxyaniline
SMILESNCc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C14H16N2O/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-8H,9-10,15-16H2
InChIKeyQQVJAGFLWAGVTH-UHFFFAOYSA-N
XLogP2.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
4-phenylmethoxyaniline
CID 159966727
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
CID 146295903
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine
CID 163403695
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
5-phenylmethoxy-2-pyrrol-1-ylaniline
CID 10587700
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-phenylmethoxyaniline?
The IUPAC name of 2-(aminomethyl)-4-phenylmethoxyaniline (CID 156839624) is 2-(aminomethyl)-4-phenylmethoxyaniline.
What is the SMILES notation for 2-(aminomethyl)-4-phenylmethoxyaniline?
The canonical SMILES for 2-(aminomethyl)-4-phenylmethoxyaniline is NCc1cc(OCc2ccccc2)ccc1N.
What is the InChIKey of 2-(aminomethyl)-4-phenylmethoxyaniline?
The InChIKey is QQVJAGFLWAGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-8H,9-10,15-16H2.
What are the key properties of 2-(aminomethyl)-4-phenylmethoxyaniline?
2-(aminomethyl)-4-phenylmethoxyaniline has a molecular weight of 228.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 156839624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).