N-(1-phenylethyl)benzo[h]azulen-1-amine

C22H19N — CID 140974592

IUPACN-(1-phenylethyl)benzo[h]azulen-1-amine
SMILESCC(Nc1ccc2cccc3ccccc3c1-2)c1ccccc1
InChIInChI=1S/C22H19N/c1-16(17-8-3-2-4-9-17)23-21-15-14-19-12-7-11-18-10-5-6-13-20(18)22(19)21/h2-16,23H,1H3
InChIKeyXTRPGPNHQOUEFY-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.12
Rot. Bonds3

About N-(1-phenylethyl)benzo[h]azulen-1-amine

N-(1-phenylethyl)benzo[h]azulen-1-amine (PubChem CID 140974592) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(1-phenylethyl)benzo[h]azulen-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)benzo[h]azulen-1-amine
PubChem CID140974592
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-(1-phenylethyl)benzo[h]azulen-1-amine
SMILESCC(Nc1ccc2cccc3ccccc3c1-2)c1ccccc1
InChIInChI=1S/C22H19N/c1-16(17-8-3-2-4-9-17)23-21-15-14-19-12-7-11-18-10-5-6-13-20(18)22(19)21/h2-16,23H,1H3
InChIKeyXTRPGPNHQOUEFY-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-tert-butyl-2,5-dimethylphenyl)-N-(1-phenylethyl)naphthalen-2-amine
CID 135160160
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
3-phenyl-4-(1-phenylethylamino)cyclobut-3-ene-1,2-dione
CID 22550393
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
N-(1-phenylnaphthalen-2-yl)nitrous amide
CID 141065415
4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 16759407
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
CID 15066371
3-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 154184551
3-[[(1S)-1-phenylethyl]amino]-4-(4-propan-2-ylphenyl)cyclobut-3-ene-1,2-dione
CID 92686803
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)benzo[h]azulen-1-amine?
The IUPAC name of N-(1-phenylethyl)benzo[h]azulen-1-amine (CID 140974592) is N-(1-phenylethyl)benzo[h]azulen-1-amine.
What is the SMILES notation for N-(1-phenylethyl)benzo[h]azulen-1-amine?
The canonical SMILES for N-(1-phenylethyl)benzo[h]azulen-1-amine is CC(Nc1ccc2cccc3ccccc3c1-2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)benzo[h]azulen-1-amine?
The InChIKey is XTRPGPNHQOUEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16(17-8-3-2-4-9-17)23-21-15-14-19-12-7-11-18-10-5-6-13-20(18)22(19)21/h2-16,23H,1H3.
What are the key properties of N-(1-phenylethyl)benzo[h]azulen-1-amine?
N-(1-phenylethyl)benzo[h]azulen-1-amine has a molecular weight of 297.40 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)benzo[h]azulen-1-amine is sourced from PubChem (CID 140974592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).