N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

C15H18ClNO2 — CID 106888680

IUPACN-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccoc2CNC(C)C)cc1Cl
InChIInChI=1S/C15H18ClNO2/c1-10(2)17-9-15-12(6-7-19-15)11-4-5-14(18-3)13(16)8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyFMZGSSHETATFBK-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.11
Rot. Bonds5

About N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888680) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888680
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccoc2CNC(C)C)cc1Cl
InChIInChI=1S/C15H18ClNO2/c1-10(2)17-9-15-12(6-7-19-15)11-4-5-14(18-3)13(16)8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyFMZGSSHETATFBK-UHFFFAOYSA-N
XLogP4.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888367
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (CID 106888680) is N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is COc1ccc(-c2ccoc2CNC(C)C)cc1Cl.
What is the InChIKey of N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is FMZGSSHETATFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10(2)17-9-15-12(6-7-19-15)11-4-5-14(18-3)13(16)8-11/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.77 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).