N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline

C18H20FN — CID 43096117

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H20FN/c1-12-6-9-17(11-18(12)19)20-13(2)15-8-7-14-4-3-5-16(14)10-15/h6-11,13,20H,3-5H2,1-2H3
InChIKeyNLUAWJFKDBKWMT-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.80
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline (PubChem CID 43096117) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
PubChem CID43096117
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H20FN/c1-12-6-9-17(11-18(12)19)20-13(2)15-8-7-14-4-3-5-16(14)10-15/h6-11,13,20H,3-5H2,1-2H3
InChIKeyNLUAWJFKDBKWMT-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931
3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
N-[1-(2,5-dimethylphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43109710
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
CID 43347921
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline (CID 43096117) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline is Cc1ccc(NC(C)c2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline?
The InChIKey is NLUAWJFKDBKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-6-9-17(11-18(12)19)20-13(2)15-8-7-14-4-3-5-16(14)10-15/h6-11,13,20H,3-5H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline has a molecular weight of 269.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 43096117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).