2-(aminomethyl)aniline;ethane

C9H16N2 — CID 90697767

IUPAC2-(aminomethyl)aniline;ethane
SMILESCC.NCc1ccccc1N
InChIInChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4H,5,8-9H2;1-2H3
InChIKeyYASZFDCAKZKJEB-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds1

About 2-(aminomethyl)aniline;ethane

2-(aminomethyl)aniline;ethane (PubChem CID 90697767) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(aminomethyl)aniline;ethane.

Molecular Properties

Compound Name2-(aminomethyl)aniline;ethane
PubChem CID90697767
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(aminomethyl)aniline;ethane
SMILESCC.NCc1ccccc1N
InChIInChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4H,5,8-9H2;1-2H3
InChIKeyYASZFDCAKZKJEB-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)aniline;hydrochloride
CID 69170371
ethane;2-ethylaniline
CID 90841248
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-ethylaniline;propane
CID 143529464
3-(aminomethyl)-2-chloroaniline
CID 69499181
(2-aminophenyl)methyloxidanium
CID 164683115
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
2-ethylaniline;sulfuric acid
CID 67820112
ethane;(2-phenylphenyl)methanamine
CID 142592948
sodium (2-aminophenyl)methanethiolate
CID 177134355
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)aniline;ethane?
The IUPAC name of 2-(aminomethyl)aniline;ethane (CID 90697767) is 2-(aminomethyl)aniline;ethane.
What is the SMILES notation for 2-(aminomethyl)aniline;ethane?
The canonical SMILES for 2-(aminomethyl)aniline;ethane is CC.NCc1ccccc1N.
What is the InChIKey of 2-(aminomethyl)aniline;ethane?
The InChIKey is YASZFDCAKZKJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4H,5,8-9H2;1-2H3.
What are the key properties of 2-(aminomethyl)aniline;ethane?
2-(aminomethyl)aniline;ethane has a molecular weight of 152.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)aniline;ethane is sourced from PubChem (CID 90697767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).