2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

C16H25FN2O — CID 81056751

IUPAC2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)20-9-8-19(3)16-7-4-14(17)10-13(16)11-18-15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3
InChIKeyUQVLDDKSGMRPAR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.94
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 81056751) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID81056751
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)20-9-8-19(3)16-7-4-14(17)10-13(16)11-18-15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3
InChIKeyUQVLDDKSGMRPAR-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700949
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057223
2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 61422754
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
CID 43313811
2-(bromomethyl)-4-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 107084775
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81063717
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)aniline
CID 81057315

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 81056751) is 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCN(C)c1ccc(F)cc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is UQVLDDKSGMRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)20-9-8-19(3)16-7-4-14(17)10-13(16)11-18-15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 280.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 81056751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).