N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine

C14H16ClNO2 — CID 60695369

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CNCCc1ccco1
InChIInChI=1S/C14H16ClNO2/c1-17-14-5-4-12(15)9-11(14)10-16-7-6-13-3-2-8-18-13/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyOHCYCDZARCMFCV-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.27
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 60695369) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID60695369
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CNCCc1ccco1
InChIInChI=1S/C14H16ClNO2/c1-17-14-5-4-12(15)9-11(14)10-16-7-6-13-3-2-8-18-13/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyOHCYCDZARCMFCV-UHFFFAOYSA-N
XLogP3.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43410931
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183418
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55071098
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
2-[2-(5-chloro-2-methoxyphenyl)ethylamino]ethanethiol
CID 115224188
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine (CID 60695369) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine is COc1ccc(Cl)cc1CNCCc1ccco1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is OHCYCDZARCMFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-17-14-5-4-12(15)9-11(14)10-16-7-6-13-3-2-8-18-13/h2-5,8-9,16H,6-7,10H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 60695369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).