5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline

C12H15ClFNO — CID 62385301

IUPAC5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
SMILESFc1ccc(Cl)cc1NCC1CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-10-1-2-11(14)12(7-10)15-8-9-3-5-16-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyHXIAKDHWZWWUME-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline

5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline (PubChem CID 62385301) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
PubChem CID62385301
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
SMILESFc1ccc(Cl)cc1NCC1CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-10-1-2-11(14)12(7-10)15-8-9-3-5-16-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyHXIAKDHWZWWUME-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-N-(oxan-4-ylmethyl)aniline
CID 62386096
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853
4-chloro-2-(oxan-4-ylmethylamino)benzenecarbothioamide
CID 63708042
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
3-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62384448
N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
CID 115213838
5-chloro-N-(oxan-4-ylmethyl)-2-pyrazol-1-ylaniline
CID 62386523
methyl 4-fluoro-3-(oxolan-3-ylmethylamino)benzoate
CID 43684495
4-fluoro-3-(oxolan-3-ylmethylamino)benzoic acid
CID 43728204
3-bromo-5-chloro-2-(difluoromethoxy)-N-(oxan-4-ylmethyl)aniline
CID 62386858
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline (CID 62385301) is 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline is Fc1ccc(Cl)cc1NCC1CCOCC1.
What is the InChIKey of 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline?
The InChIKey is HXIAKDHWZWWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-1-2-11(14)12(7-10)15-8-9-3-5-16-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline?
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline has a molecular weight of 243.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 62385301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).