ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

C24H29N3 — CID 143153163

IUPACethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCC.Nc1cccc(CCc2cccc3ccccc23)c1C1=NCCCN1
InChIInChI=1S/C22H23N3.C2H6/c23-20-11-4-9-18(21(20)22-24-14-5-15-25-22)13-12-17-8-3-7-16-6-1-2-10-19(16)17;1-2/h1-4,6-11H,5,12-15,23H2,(H,24,25);1-2H3
InChIKeyMHDZHGIDUZYCJS-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.97
Rot. Bonds4

About ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (PubChem CID 143153163) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.

Molecular Properties

Compound Nameethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
PubChem CID143153163
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Nameethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCC.Nc1cccc(CCc2cccc3ccccc23)c1C1=NCCCN1
InChIInChI=1S/C22H23N3.C2H6/c23-20-11-4-9-18(21(20)22-24-14-5-15-25-22)13-12-17-8-3-7-16-6-1-2-10-19(16)17;1-2/h1-4,6-11H,5,12-15,23H2,(H,24,25);1-2H3
InChIKeyMHDZHGIDUZYCJS-UHFFFAOYSA-N
XLogP4.97
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69239082
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
2-[2-[(4-methylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744884
1,2-diethyl-4-methylbenzene;ethane;1-(6-methylcyclohexa-1,5-dien-1-yl)ethenamine;2-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine;propane
CID 142160898
2-(naphthalen-1-ylsulfanylmethyl)-3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 142044184
2-[(S)-methoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 129389299
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 576157
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The IUPAC name of ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (CID 143153163) is ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.
What is the SMILES notation for ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The canonical SMILES for ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is CC.Nc1cccc(CCc2cccc3ccccc23)c1C1=NCCCN1.
What is the InChIKey of ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The InChIKey is MHDZHGIDUZYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3.C2H6/c23-20-11-4-9-18(21(20)22-24-14-5-15-25-22)13-12-17-8-3-7-16-6-1-2-10-19(16)17;1-2/h1-4,6-11H,5,12-15,23H2,(H,24,25);1-2H3.
What are the key properties of ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline has a molecular weight of 359.52 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is sourced from PubChem (CID 143153163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).