N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H19FN2S — CID 61450779

IUPACN-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(c1cccc(F)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H19FN2S/c17-13-4-1-3-12(9-13)16(10-18)19(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14,16H,6-7,10-11,18H2
InChIKeyDBGUXKVUGYCWJS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.55
Rot. Bonds6

About N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61450779) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61450779
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(c1cccc(F)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H19FN2S/c17-13-4-1-3-12(9-13)16(10-18)19(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14,16H,6-7,10-11,18H2
InChIKeyDBGUXKVUGYCWJS-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81431527
N-cyclopropyl-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450741
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 106817331
N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450702
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 82835500
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81436521

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61450779) is N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(c1cccc(F)c1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DBGUXKVUGYCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c17-13-4-1-3-12(9-13)16(10-18)19(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14,16H,6-7,10-11,18H2.
What are the key properties of N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).