N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline

C19H19N — CID 142893726

IUPACN,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline
SMILESC=C1C=C(c2ccc(N(C)C)cc2)Cc2ccccc21
InChIInChI=1S/C19H19N/c1-14-12-17(13-16-6-4-5-7-19(14)16)15-8-10-18(11-9-15)20(2)3/h4-12H,1,13H2,2-3H3
InChIKeyBDYZMLVDVADASC-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.41
Rot. Bonds2

About N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline

N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline (PubChem CID 142893726) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline
PubChem CID142893726
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline
SMILESC=C1C=C(c2ccc(N(C)C)cc2)Cc2ccccc21
InChIInChI=1S/C19H19N/c1-14-12-17(13-16-6-4-5-7-19(14)16)15-8-10-18(11-9-15)20(2)3/h4-12H,1,13H2,2-3H3
InChIKeyBDYZMLVDVADASC-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-inden-2-yl)-N,N-dimethylaniline
CID 86066545
N,N-dimethyl-4-(9H-xanthen-1-yl)aniline
CID 70613231
4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
CID 71318023
3-(4-sulfanylphenyl)-4H-naphthalen-1-one
CID 142149770
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
N,N-dimethyl-4-(3-phenoxycyclohexa-1,3-dien-1-yl)aniline
CID 173119338
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-(3,4-dimethylcyclohexa-1,3-dien-1-yl)-N,N-dimethylaniline
CID 70971955
4-[(Z)-(2-chloroinden-1-ylidene)methyl]-N,N-dimethylaniline
CID 53315278
9-(3-bromophenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 145377281
4-[2-(chloromethyl)phenyl]-N,N-dimethylaniline
CID 43840308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline (CID 142893726) is N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline is C=C1C=C(c2ccc(N(C)C)cc2)Cc2ccccc21.
What is the InChIKey of N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline?
The InChIKey is BDYZMLVDVADASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-14-12-17(13-16-6-4-5-7-19(14)16)15-8-10-18(11-9-15)20(2)3/h4-12H,1,13H2,2-3H3.
What are the key properties of N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline?
N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline has a molecular weight of 261.37 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline is sourced from PubChem (CID 142893726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).