[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen

C10H22N2 — CID 145400663

IUPAC[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
SMILESCC.NCc1cccc(CN)c1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c9-5-7-2-1-3-8(4-7)6-10;1-2;;/h1-4H,5-6,9-10H2;1-2H3;2*1H
InChIKeyXCUSCBPOPHQNAB-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.12
Rot. Bonds2

About [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen

[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen (PubChem CID 145400663) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
PubChem CID145400663
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
SMILESCC.NCc1cccc(CN)c1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c9-5-7-2-1-3-8(4-7)6-10;1-2;;/h1-4H,5-6,9-10H2;1-2H3;2*1H
InChIKeyXCUSCBPOPHQNAB-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(bromomethyl)phenyl]methanamine
CID 67540206
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
ethane;phenylmethanamine;vanadium
CID 158602574
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen?
The IUPAC name of [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen (CID 145400663) is [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen.
What is the SMILES notation for [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen?
The canonical SMILES for [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen is CC.NCc1cccc(CN)c1.[H][H].[H][H].
What is the InChIKey of [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen?
The InChIKey is XCUSCBPOPHQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6.2H2/c9-5-7-2-1-3-8(4-7)6-10;1-2;;/h1-4H,5-6,9-10H2;1-2H3;2*1H.
What are the key properties of [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen?
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen has a molecular weight of 170.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen is sourced from PubChem (CID 145400663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).