1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

C14H17FN2O — CID 61422331

IUPAC1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-17(9-11-5-6-18-10-11)14(8-16)12-3-2-4-13(15)7-12/h2-7,10,14H,8-9,16H2,1H3
InChIKeyUDNZEZXTGQMSOA-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 61422331) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID61422331
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-17(9-11-5-6-18-10-11)14(8-16)12-3-2-4-13(15)7-12/h2-7,10,14H,8-9,16H2,1H3
InChIKeyUDNZEZXTGQMSOA-UHFFFAOYSA-N
XLogP2.55
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 55020150
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61422376
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 63208098
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484279
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (CID 61422331) is 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccoc1)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is UDNZEZXTGQMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(9-11-5-6-18-10-11)14(8-16)12-3-2-4-13(15)7-12/h2-7,10,14H,8-9,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 248.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61422331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).