(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine

C16H14ClNO — CID 79596963

IUPAC(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H14ClNO/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,15H,18H2,1H3
InChIKeyUZPIWRIYWRAELN-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.44
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine

(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine (PubChem CID 79596963) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
PubChem CID79596963
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H14ClNO/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,15H,18H2,1H3
InChIKeyUZPIWRIYWRAELN-UHFFFAOYSA-N
XLogP4.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
CID 114939239
(4-chloronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 79591905
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanamine
CID 113455148
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 104804433
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine (CID 79596963) is (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is UZPIWRIYWRAELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,15H,18H2,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine?
(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 271.75 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 79596963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).