(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine

C13H14ClNO3 — CID 43384504

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccoc2)cc1OC
InChIInChI=1S/C13H14ClNO3/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3
InChIKeyMAJVSZWYPKCXRT-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.00
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine

(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine (PubChem CID 43384504) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
PubChem CID43384504
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccoc2)cc1OC
InChIInChI=1S/C13H14ClNO3/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3
InChIKeyMAJVSZWYPKCXRT-UHFFFAOYSA-N
XLogP3.00
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(5-chloro-2-methoxyphenyl)-(furan-3-yl)methanol
CID 63894957
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 43330575
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 79984891
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine (CID 43384504) is (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine is COc1cc(Cl)c(C(N)c2ccoc2)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine?
The InChIKey is MAJVSZWYPKCXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine?
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine has a molecular weight of 267.71 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 43384504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).