4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

C16H18ClNO — CID 43093359

IUPAC4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCc1cc(Cl)ccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H18ClNO/c1-10-8-14(10)16-6-4-13(19-16)9-18-15-5-3-12(17)7-11(15)2/h3-7,10,14,18H,8-9H2,1-2H3
InChIKeyCCAJYGANLUSMGS-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.98
Rot. Bonds4

About 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 43093359) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID43093359
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCc1cc(Cl)ccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H18ClNO/c1-10-8-14(10)16-6-4-13(19-16)9-18-15-5-3-12(17)7-11(15)2/h3-7,10,14,18H,8-9H2,1-2H3
InChIKeyCCAJYGANLUSMGS-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
4-bromo-2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 81292277
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-nitroaniline
CID 43718665
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
CID 43683366
2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43192907
4-bromo-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 107797227
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 43719623
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 43093359) is 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is Cc1cc(Cl)ccc1NCc1ccc(C2CC2C)o1.
What is the InChIKey of 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is CCAJYGANLUSMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-8-14(10)16-6-4-13(19-16)9-18-15-5-3-12(17)7-11(15)2/h3-7,10,14,18H,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43093359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).