N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline

C23H23N — CID 24988055

IUPACN-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline
SMILESCN(CCC1Cc2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H23N/c1-24(20-10-3-2-4-11-20)16-15-19-17-18-9-5-6-12-21(18)23-14-8-7-13-22(19)23/h2-14,19H,15-17H2,1H3
InChIKeyGFUHOTJWOKUXOX-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.52
Rot. Bonds4

About N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline

N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline (PubChem CID 24988055) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline
PubChem CID24988055
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC NameN-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline
SMILESCN(CCC1Cc2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H23N/c1-24(20-10-3-2-4-11-20)16-15-19-17-18-9-5-6-12-21(18)23-14-8-7-13-22(19)23/h2-14,19H,15-17H2,1H3
InChIKeyGFUHOTJWOKUXOX-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-[(2R,9S)-2-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]ethanamine
CID 6992647
(3E)-3-(9-ethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 67976858
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
(16S)-1-azahexacyclo[14.13.0.03,8.09,14.017,22.023,28]nonacosa-3,5,7,9,11,13,17,19,21,23,25,27-dodecaene
CID 11153006
2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
CID 170552669
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N-[3-(3-imino-1H-isoindol-2-yl)propyl]-N-methylaniline
CID 43079589
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
3-[(5S)-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepin-5-yl]-N,N-dimethylpropan-1-amine
CID 826380
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline?
The IUPAC name of N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline (CID 24988055) is N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline.
What is the SMILES notation for N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline?
The canonical SMILES for N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline is CN(CCC1Cc2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline?
The InChIKey is GFUHOTJWOKUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-24(20-10-3-2-4-11-20)16-15-19-17-18-9-5-6-12-21(18)23-14-8-7-13-22(19)23/h2-14,19H,15-17H2,1H3.
What are the key properties of N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline?
N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline has a molecular weight of 313.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-N-methylaniline is sourced from PubChem (CID 24988055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).