N-alumanyl-2-phenylethanamine

C8H12AlN — CID 173457545

IUPACN-alumanyl-2-phenylethanamine
SMILES[AlH2]NCCc1ccccc1
InChIInChI=1S/C8H10N.Al.2H/c9-7-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2;;;/q-1;+1;;
InChIKeyVKPVPOSNWOVURU-UHFFFAOYSA-N
MW149.17 g/mol
LogP0.37
Rot. Bonds3

About N-alumanyl-2-phenylethanamine

N-alumanyl-2-phenylethanamine (PubChem CID 173457545) has the molecular formula C8H12AlN and a molecular weight of 149.17 g/mol. Its IUPAC name is N-alumanyl-2-phenylethanamine.

Molecular Properties

Compound NameN-alumanyl-2-phenylethanamine
PubChem CID173457545
Molecular FormulaC8H12AlN
Molecular Weight149.17 g/mol
Exact Mass149.08
IUPAC NameN-alumanyl-2-phenylethanamine
SMILES[AlH2]NCCc1ccccc1
InChIInChI=1S/C8H10N.Al.2H/c9-7-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2;;;/q-1;+1;;
InChIKeyVKPVPOSNWOVURU-UHFFFAOYSA-N
XLogP0.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-chloro-2-phenylethanamine
CID 18184165
benzene;2-phenylethylbenzene
CID 18982764
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
hafnium;2-phenylethylbenzene
CID 173109801
N-(2-phenylethyl)benzenecarbothioamide
CID 708576
N-tert-butylsulfanyl-2-phenylethanamine
CID 144575358
2-iodoethylbenzene;zinc
CID 70126598
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294

Frequently Asked Questions

What is the IUPAC name of N-alumanyl-2-phenylethanamine?
The IUPAC name of N-alumanyl-2-phenylethanamine (CID 173457545) is N-alumanyl-2-phenylethanamine.
What is the SMILES notation for N-alumanyl-2-phenylethanamine?
The canonical SMILES for N-alumanyl-2-phenylethanamine is [AlH2]NCCc1ccccc1.
What is the InChIKey of N-alumanyl-2-phenylethanamine?
The InChIKey is VKPVPOSNWOVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Al.2H/c9-7-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2;;;/q-1;+1;;.
What are the key properties of N-alumanyl-2-phenylethanamine?
N-alumanyl-2-phenylethanamine has a molecular weight of 149.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-alumanyl-2-phenylethanamine is sourced from PubChem (CID 173457545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).