N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C17H22ClNO2 — CID 62486962

IUPACN-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c(OCc2ccoc2CNC(C)(C)C)c1
InChIInChI=1S/C17H22ClNO2/c1-12-5-6-14(18)15(9-12)21-11-13-7-8-20-16(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyFOELXSOCHVXVAF-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.71
Rot. Bonds5

About N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62486962) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62486962
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c(OCc2ccoc2CNC(C)(C)C)c1
InChIInChI=1S/C17H22ClNO2/c1-12-5-6-14(18)15(9-12)21-11-13-7-8-20-16(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyFOELXSOCHVXVAF-UHFFFAOYSA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 107661326
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 63496103
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65125402
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
2-methyl-N-[[3-(phenylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444839
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62486962) is N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(Cl)c(OCc2ccoc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FOELXSOCHVXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12-5-6-14(18)15(9-12)21-11-13-7-8-20-16(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62486962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).