2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde

C14H14ClNO2 — CID 61426535

IUPAC2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
SMILESCc1occc1CN(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H14ClNO2/c1-10-11(6-7-18-10)8-16(2)14-5-3-4-13(15)12(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyHSBYUSGOUQLPGJ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde

2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde (PubChem CID 61426535) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
PubChem CID61426535
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
SMILESCc1occc1CN(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H14ClNO2/c1-10-11(6-7-18-10)8-16(2)14-5-3-4-13(15)12(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyHSBYUSGOUQLPGJ-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
CID 61422339
2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418205
2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114068254
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426683
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 61372789
2-[(5-bromothiophen-3-yl)methyl-methylamino]-6-chlorobenzaldehyde
CID 63535975
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-5-nitrobenzaldehyde
CID 61426633
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61426585
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
3-amino-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 61424468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The IUPAC name of 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde (CID 61426535) is 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde is Cc1occc1CN(C)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The InChIKey is HSBYUSGOUQLPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-11(6-7-18-10)8-16(2)14-5-3-4-13(15)12(14)9-17/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde has a molecular weight of 263.72 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 61426535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).