N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine

C15H14ClNO — CID 21388068

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO/c1-3-10-17(2)11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h1,4-9H,10-11H2,2H3
InChIKeyDZMBBLAFOYMOKF-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.66
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine (PubChem CID 21388068) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
PubChem CID21388068
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO/c1-3-10-17(2)11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h1,4-9H,10-11H2,2H3
InChIKeyDZMBBLAFOYMOKF-UHFFFAOYSA-N
XLogP3.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
CID 32526863
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
CID 21413431
2-(4-chlorophenyl)-5-propylfuran
CID 91550346
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(4-fluorophenyl)-1-methylthiourea
CID 9215880
2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8720907
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine (CID 21388068) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is DZMBBLAFOYMOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-3-10-17(2)11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h1,4-9H,10-11H2,2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 259.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 21388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).