1-phenylethanamine

C8H10N- — CID 59898296

IUPAC1-phenylethanamine
SMILESC[C-](N)c1ccccc1
InChIInChI=1S/C8H10N/c1-7(9)8-5-3-2-4-6-8/h2-6H,9H2,1H3/q-1
InChIKeyXNAKNZPQCDYFEW-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.55
Rot. Bonds1

About 1-phenylethanamine

1-phenylethanamine (PubChem CID 59898296) has the molecular formula C8H10N- and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-phenylethanamine.

Molecular Properties

Compound Name1-phenylethanamine
PubChem CID59898296
Molecular FormulaC8H10N-
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name1-phenylethanamine
SMILESC[C-](N)c1ccccc1
InChIInChI=1S/C8H10N/c1-7(9)8-5-3-2-4-6-8/h2-6H,9H2,1H3/q-1
InChIKeyXNAKNZPQCDYFEW-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethylbenzene;tungsten
CID 59887393
magnesium;propan-2-ylbenzene;chloride
CID 14168514
benzene;tris(propan-2-ylbenzene);titanium(4+)
CID 141332066
tetrakis(diphenylmethylbenzene);palladium
CID 57423444
2-phenylpropanoic acid;rubidium(1+)
CID 173488254
dilithium;diphenylmethylbenzene;hydride
CID 173115041
sodium;1-phenylethylbenzene;sulfuric acid
CID 175416175
dimethoxymethylbenzene;titanium
CID 87292758
1-chloro-N,N-dimethyl-1-phenylmethanamine
CID 134900800
lithium 1-(benzenesulfonyl)ethylbenzene
CID 11470743
toluene;hydrate
CID 22272177
dichlorotitanium;diphenylmethylbenzene
CID 78065476

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanamine?
The IUPAC name of 1-phenylethanamine (CID 59898296) is 1-phenylethanamine.
What is the SMILES notation for 1-phenylethanamine?
The canonical SMILES for 1-phenylethanamine is C[C-](N)c1ccccc1.
What is the InChIKey of 1-phenylethanamine?
The InChIKey is XNAKNZPQCDYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N/c1-7(9)8-5-3-2-4-6-8/h2-6H,9H2,1H3/q-1.
What are the key properties of 1-phenylethanamine?
1-phenylethanamine has a molecular weight of 120.17 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanamine is sourced from PubChem (CID 59898296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).