N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine

C20H21N — CID 10978709

IUPACN-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine
SMILESCC(C)(/N=C/c1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H21N/c1-20(2,21-15-16-8-4-3-5-9-16)19-13-12-17-10-6-7-11-18(17)14-19/h3-11,14-15H,12-13H2,1-2H3/b21-15+
InChIKeyYWQGJOUIKVYCKA-RCCKNPSSSA-N
MW275.40 g/mol
LogP4.91
Rot. Bonds3

About N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine

N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine (PubChem CID 10978709) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine
PubChem CID10978709
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine
SMILESCC(C)(/N=C/c1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H21N/c1-20(2,21-15-16-8-4-3-5-9-16)19-13-12-17-10-6-7-11-18(17)14-19/h3-11,14-15H,12-13H2,1-2H3/b21-15+
InChIKeyYWQGJOUIKVYCKA-RCCKNPSSSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine (CID 10978709) is N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine is CC(C)(/N=C/c1ccccc1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine?
The InChIKey is YWQGJOUIKVYCKA-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H21N/c1-20(2,21-15-16-8-4-3-5-9-16)19-13-12-17-10-6-7-11-18(17)14-19/h3-11,14-15H,12-13H2,1-2H3/b21-15+.
What are the key properties of N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine?
N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine has a molecular weight of 275.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 10978709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).