1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

C17H21FN2 — CID 65484279

IUPAC1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)17(13-19)15-8-5-9-16(18)12-15/h2-9,12,17H,10-11,13,19H2,1H3
InChIKeyCVPQIXAFECIIDA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.00
Rot. Bonds6

About 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 65484279) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID65484279
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)17(13-19)15-8-5-9-16(18)12-15/h2-9,12,17H,10-11,13,19H2,1H3
InChIKeyCVPQIXAFECIIDA-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65483708
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484872
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
N-methyl-N-(2-phenylethyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65483504
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 114487976
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (CID 65484279) is 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is CN(CCc1ccccc1)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is CVPQIXAFECIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(11-10-14-6-3-2-4-7-14)17(13-19)15-8-5-9-16(18)12-15/h2-9,12,17H,10-11,13,19H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65484279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).