1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine

C20H19N — CID 114939245

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H19N/c21-19(13-14-5-2-1-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h1-8,11-12,19H,9-10,13,21H2
InChIKeyFRUBUILSJBLCDO-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.18
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine

1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine (PubChem CID 114939245) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
PubChem CID114939245
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H19N/c21-19(13-14-5-2-1-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h1-8,11-12,19H,9-10,13,21H2
InChIKeyFRUBUILSJBLCDO-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
CID 114939189
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
5-(1-bromo-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939778
1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine
CID 83988302
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
(5-bromothiophen-3-yl)-(1,2-dihydroacenaphthylen-5-yl)methanamine
CID 107961381

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine (CID 114939245) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine is NC(Cc1ccccc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine?
The InChIKey is FRUBUILSJBLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c21-19(13-14-5-2-1-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h1-8,11-12,19H,9-10,13,21H2.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine is sourced from PubChem (CID 114939245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).