N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

C16H25FN2O — CID 103780414

IUPACN'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(OC)c(F)c1)C1CC1
InChIInChI=1S/C16H25FN2O/c1-4-19(14-6-7-14)10-9-18-12(2)13-5-8-16(20-3)15(17)11-13/h5,8,11-12,14,18H,4,6-7,9-10H2,1-3H3
InChIKeyMVLJYPITDJUMRD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 103780414) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID103780414
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(OC)c(F)c1)C1CC1
InChIInChI=1S/C16H25FN2O/c1-4-19(14-6-7-14)10-9-18-12(2)13-5-8-16(20-3)15(17)11-13/h5,8,11-12,14,18H,4,6-7,9-10H2,1-3H3
InChIKeyMVLJYPITDJUMRD-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 103780414) is N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is CCN(CCNC(C)c1ccc(OC)c(F)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is MVLJYPITDJUMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19(14-6-7-14)10-9-18-12(2)13-5-8-16(20-3)15(17)11-13/h5,8,11-12,14,18H,4,6-7,9-10H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103780414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).