N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine

C15H18ClNO — CID 6471479

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClNO/c1-15(2,3)17-10-11-8-9-14(18-11)12-6-4-5-7-13(12)16/h4-9,17H,10H2,1-3H3
InChIKeyJKQHHLQZNJLSOQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.49
Rot. Bonds3

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 6471479) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID6471479
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClNO/c1-15(2,3)17-10-11-8-9-14(18-11)12-6-4-5-7-13(12)16/h4-9,17H,10H2,1-3H3
InChIKeyJKQHHLQZNJLSOQ-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
CID 18778312
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211422
2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66528110
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 91838469

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine (CID 6471479) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JKQHHLQZNJLSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-15(2,3)17-10-11-8-9-14(18-11)12-6-4-5-7-13(12)16/h4-9,17H,10H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 6471479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).