2-(aminomethyl)aniline;hydrochloride

C7H11ClN2 — CID 69170371

IUPAC2-(aminomethyl)aniline;hydrochloride
SMILESCl.NCc1ccccc1N
InChIInChI=1S/C7H10N2.ClH/c8-5-6-3-1-2-4-7(6)9;/h1-4H,5,8-9H2;1H
InChIKeyYILCUDPFTCXVID-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.15
Rot. Bonds1

About 2-(aminomethyl)aniline;hydrochloride

2-(aminomethyl)aniline;hydrochloride (PubChem CID 69170371) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-(aminomethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)aniline;hydrochloride
PubChem CID69170371
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name2-(aminomethyl)aniline;hydrochloride
SMILESCl.NCc1ccccc1N
InChIInChI=1S/C7H10N2.ClH/c8-5-6-3-1-2-4-7(6)9;/h1-4H,5,8-9H2;1H
InChIKeyYILCUDPFTCXVID-UHFFFAOYSA-N
XLogP1.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.15
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;ethane
CID 90697767
3-(aminomethyl)-2-chloroaniline
CID 69499181
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
(2-aminophenyl)methyloxidanium
CID 164683115
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
sodium (2-aminophenyl)methanethiolate
CID 177134355
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
2-(hydrazinylmethyl)aniline
CID 126609519
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)aniline;hydrochloride?
The IUPAC name of 2-(aminomethyl)aniline;hydrochloride (CID 69170371) is 2-(aminomethyl)aniline;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)aniline;hydrochloride?
The canonical SMILES for 2-(aminomethyl)aniline;hydrochloride is Cl.NCc1ccccc1N.
What is the InChIKey of 2-(aminomethyl)aniline;hydrochloride?
The InChIKey is YILCUDPFTCXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c8-5-6-3-1-2-4-7(6)9;/h1-4H,5,8-9H2;1H.
What are the key properties of 2-(aminomethyl)aniline;hydrochloride?
2-(aminomethyl)aniline;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)aniline;hydrochloride is sourced from PubChem (CID 69170371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).