1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine

C16H14ClNO — CID 79597508

IUPAC1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H14ClNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3
InChIKeyATWXYCAYWWUROT-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine

1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 79597508) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
PubChem CID79597508
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H14ClNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3
InChIKeyATWXYCAYWWUROT-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromonaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 79597141
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
1-(2-bromofuran-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 106857587
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(5-chlorothiophen-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 130905664
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine (CID 79597508) is 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine is CNC(c1ccoc1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is ATWXYCAYWWUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-10,16,18H,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine?
1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79597508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).