N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H18FNO — CID 79366842

IUPACN-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H18FNO/c1-20-15-8-4-13-5-9-17(16(13)10-15)19-11-12-2-6-14(18)7-3-12/h2-4,6-8,10,17,19H,5,9,11H2,1H3
InChIKeyVMBSFANERKFLPU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366842) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79366842
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H18FNO/c1-20-15-8-4-13-5-9-17(16(13)10-15)19-11-12-2-6-14(18)7-3-12/h2-4,6-8,10,17,19H,5,9,11H2,1H3
InChIKeyVMBSFANERKFLPU-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370048
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
6-methoxy-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 81171529
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
6-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366862
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79366842) is N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCc1ccc(F)cc1)CC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VMBSFANERKFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-15-8-4-13-5-9-17(16(13)10-15)19-11-12-2-6-14(18)7-3-12/h2-4,6-8,10,17,19H,5,9,11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).