N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine

C15H23FN2 — CID 103780486

IUPACN'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-18(15-7-8-15)10-9-17-12(2)13-5-4-6-14(16)11-13/h4-6,11-12,15,17H,3,7-10H2,1-2H3
InChIKeyMDWPQWKBVYOJLB-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 103780486) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID103780486
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-18(15-7-8-15)10-9-17-12(2)13-5-4-6-14(16)11-13/h4-6,11-12,15,17H,3,7-10H2,1-2H3
InChIKeyMDWPQWKBVYOJLB-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 103780414
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine (CID 103780486) is N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine is CCN(CCNC(C)c1cccc(F)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is MDWPQWKBVYOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(15-7-8-15)10-9-17-12(2)13-5-4-6-14(16)11-13/h4-6,11-12,15,17H,3,7-10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103780486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).