N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C17H22ClNO2 — CID 65125402

IUPACN-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1occc1COCc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-17(2,3)19-10-16-14(7-8-21-16)12-20-11-13-5-4-6-15(18)9-13/h4-9,19H,10-12H2,1-3H3
InChIKeyYDLHSMXCBZVZNP-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.54
Rot. Bonds6

About N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65125402) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65125402
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1occc1COCc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-17(2,3)19-10-16-14(7-8-21-16)12-20-11-13-5-4-6-15(18)9-13/h4-9,19H,10-12H2,1-3H3
InChIKeyYDLHSMXCBZVZNP-UHFFFAOYSA-N
XLogP4.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
2-methyl-N-[[3-(phenylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444839
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[3-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63936374
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
CID 65125204
1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 82832319
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62486962
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 107661326
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 65125402) is N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1occc1COCc1cccc(Cl)c1.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YDLHSMXCBZVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-17(2,3)19-10-16-14(7-8-21-16)12-20-11-13-5-4-6-15(18)9-13/h4-9,19H,10-12H2,1-3H3.
What are the key properties of N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65125402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).