4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline

C14H21FN2 — CID 55235260

IUPAC4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)CC2CC2)c(F)c1
InChIInChI=1S/C14H21FN2/c1-10(16)7-12-5-6-14(13(15)8-12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMPEBPQUMWFCOBX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds5

About 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline

4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline (PubChem CID 55235260) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
PubChem CID55235260
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)CC2CC2)c(F)c1
InChIInChI=1S/C14H21FN2/c1-10(16)7-12-5-6-14(13(15)8-12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMPEBPQUMWFCOBX-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105418519
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63795040
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
CID 58437592

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline (CID 55235260) is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline is CC(N)Cc1ccc(N(C)CC2CC2)c(F)c1.
What is the InChIKey of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline?
The InChIKey is MPEBPQUMWFCOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(16)7-12-5-6-14(13(15)8-12)17(2)9-11-3-4-11/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline?
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 55235260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).