1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine

C18H17NO — CID 114939239

IUPAC1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H17NO/c1-11-9-10-20-18(11)17(19)15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-10,17H,5-6,19H2,1H3
InChIKeyNQKVFCSUPMZALQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.89
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine

1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine (PubChem CID 114939239) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
PubChem CID114939239
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H17NO/c1-11-9-10-20-18(11)17(19)15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-10,17H,5-6,19H2,1H3
InChIKeyNQKVFCSUPMZALQ-UHFFFAOYSA-N
XLogP3.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
CID 79596963
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
CID 114939661
(5-bromothiophen-3-yl)-(1,2-dihydroacenaphthylen-5-yl)methanamine
CID 107961381
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
CID 114939189
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 104804433
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
CID 104541452
(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanamine
CID 113455148

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine (CID 114939239) is 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine?
The InChIKey is NQKVFCSUPMZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-9-10-20-18(11)17(19)15-8-7-13-6-5-12-3-2-4-14(15)16(12)13/h2-4,7-10,17H,5-6,19H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine?
1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 114939239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).