2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline

C16H19N3 — CID 66750878

IUPAC2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline
SMILESCNc1ccccc1/N=C/[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H19N3/c1-18-15-9-5-6-10-16(15)19-12-14(17)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11,17H2,1H3/b19-12+/t14-/m0/s1
InChIKeyBROQFIQLQNTIJO-BXUJETTOSA-N
MW253.35 g/mol
LogP3.00
Rot. Bonds5

About 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline

2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline (PubChem CID 66750878) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline
PubChem CID66750878
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline
SMILESCNc1ccccc1/N=C/[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H19N3/c1-18-15-9-5-6-10-16(15)19-12-14(17)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11,17H2,1H3/b19-12+/t14-/m0/s1
InChIKeyBROQFIQLQNTIJO-BXUJETTOSA-N
XLogP3.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline?
The IUPAC name of 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline (CID 66750878) is 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline.
What is the SMILES notation for 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline?
The canonical SMILES for 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline is CNc1ccccc1/N=C/[C@@H](N)Cc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline?
The InChIKey is BROQFIQLQNTIJO-BXUJETTOSA-N. The full InChI is InChI=1S/C16H19N3/c1-18-15-9-5-6-10-16(15)19-12-14(17)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11,17H2,1H3/b19-12+/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline?
2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-phenylpropylidene]amino]-N-methylaniline is sourced from PubChem (CID 66750878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).