2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine

C17H23N3 — CID 67382394

IUPAC2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESNNCCc1ccccc1.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.C8H12N2/c10-9-6-8(9)7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8/h1-5,8-9H,6,10H2;1-5,10H,6-7,9H2/t8-,9+;/m0./s1
InChIKeyCWZDDBCMFVAHQR-OULXEKPRSA-N
MW269.39 g/mol
LogP2.19
Rot. Bonds4

About 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine

2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine (PubChem CID 67382394) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine
PubChem CID67382394
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESNNCCc1ccccc1.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.C8H12N2/c10-9-6-8(9)7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8/h1-5,8-9H,6,10H2;1-5,10H,6-7,9H2/t8-,9+;/m0./s1
InChIKeyCWZDDBCMFVAHQR-OULXEKPRSA-N
XLogP2.19
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
2-(4-fluorophenyl)ethanamine;trans-(1S,2R)-2-phenylcyclopropan-1-amine;hydrochloride
CID 154961449
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120760797
CID 75994277
CID 75994277
1-[4-(hydrazinylmethyl)pyridin-1-ium-1-yl]-2-(2-phenylethyl)hydrazine
CID 123362947
(1R)-2-(3-phenylphenyl)cyclopropan-1-amine
CID 20666508
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine
CID 130295385
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The IUPAC name of 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine (CID 67382394) is 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The canonical SMILES for 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine is NNCCc1ccccc1.N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The InChIKey is CWZDDBCMFVAHQR-OULXEKPRSA-N. The full InChI is InChI=1S/C9H11N.C8H12N2/c10-9-6-8(9)7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8/h1-5,8-9H,6,10H2;1-5,10H,6-7,9H2/t8-,9+;/m0./s1.
What are the key properties of 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylhydrazine;trans-(1R,2S)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 67382394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).