(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine

C20H23N — CID 101035160

IUPAC(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESC/C=C1\c2ccccc2C(c2ccccc2)CC1N(C)C
InChIInChI=1S/C20H23N/c1-4-16-17-12-8-9-13-18(17)19(14-20(16)21(2)3)15-10-6-5-7-11-15/h4-13,19-20H,14H2,1-3H3/b16-4+
InChIKeyVMDUTDRKYUYZPO-AYSLTRBKSA-N
MW277.41 g/mol
LogP4.56
Rot. Bonds2

About (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine

(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine (PubChem CID 101035160) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine.

Molecular Properties

Compound Name(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine
PubChem CID101035160
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESC/C=C1\c2ccccc2C(c2ccccc2)CC1N(C)C
InChIInChI=1S/C20H23N/c1-4-16-17-12-8-9-13-18(17)19(14-20(16)21(2)3)15-10-6-5-7-11-15/h4-13,19-20H,14H2,1-3H3/b16-4+
InChIKeyVMDUTDRKYUYZPO-AYSLTRBKSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3033039
(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54587686
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
CID 10171662
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one
CID 23265611
3-phenyl-2,3-dihydroinden-1-imine
CID 89129841
11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 123702509
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448

Frequently Asked Questions

What is the IUPAC name of (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine?
The IUPAC name of (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine (CID 101035160) is (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine.
What is the SMILES notation for (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine?
The canonical SMILES for (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine is C/C=C1\c2ccccc2C(c2ccccc2)CC1N(C)C.
What is the InChIKey of (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine?
The InChIKey is VMDUTDRKYUYZPO-AYSLTRBKSA-N. The full InChI is InChI=1S/C20H23N/c1-4-16-17-12-8-9-13-18(17)19(14-20(16)21(2)3)15-10-6-5-7-11-15/h4-13,19-20H,14H2,1-3H3/b16-4+.
What are the key properties of (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine?
(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine has a molecular weight of 277.41 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine is sourced from PubChem (CID 101035160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).