N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

C18H23FN2 — CID 63552892

IUPACN-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-4-21(18-8-6-5-7-17(18)19)16-11-9-15(10-12-16)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyNVZRLEVRJSESTC-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.48
Rot. Bonds6

About N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (PubChem CID 63552892) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
PubChem CID63552892
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-4-21(18-8-6-5-7-17(18)19)16-11-9-15(10-12-16)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyNVZRLEVRJSESTC-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283757
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
1-[5-(N-ethyl-2-fluoroanilino)-2-pyridinyl]ethanol
CID 83132069
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63805247
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
N-(2-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295514
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (CID 63552892) is N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is CCN(c1ccc(CNC(C)C)cc1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The InChIKey is NVZRLEVRJSESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(18-8-6-5-7-17(18)19)16-11-9-15(10-12-16)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is sourced from PubChem (CID 63552892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).