5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline

C17H23ClN2O — CID 114848827

IUPAC5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(Cc1ccco1)c1cc(Cl)ccc1CNC(C)C
InChIInChI=1S/C17H23ClN2O/c1-4-20(12-16-6-5-9-21-16)17-10-15(18)8-7-14(17)11-19-13(2)3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLFTAESDERYHYMP-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.46
Rot. Bonds7

About 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 114848827) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
PubChem CID114848827
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(Cc1ccco1)c1cc(Cl)ccc1CNC(C)C
InChIInChI=1S/C17H23ClN2O/c1-4-20(12-16-6-5-9-21-16)17-10-15(18)8-7-14(17)11-19-13(2)3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLFTAESDERYHYMP-UHFFFAOYSA-N
XLogP4.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
CID 114848828
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline (CID 114848827) is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline is CCN(Cc1ccco1)c1cc(Cl)ccc1CNC(C)C.
What is the InChIKey of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is LFTAESDERYHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-4-20(12-16-6-5-9-21-16)17-10-15(18)8-7-14(17)11-19-13(2)3/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline?
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 306.84 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 114848827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).