N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H17F2NO — CID 79370217

IUPACN-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1cc(F)ccc1F)CC2
InChIInChI=1S/C17H17F2NO/c1-21-14-5-2-11-3-7-17(15(11)9-14)20-10-12-8-13(18)4-6-16(12)19/h2,4-6,8-9,17,20H,3,7,10H2,1H3
InChIKeyULNNMJKZIXCCSJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.75
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370217) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79370217
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1cc(F)ccc1F)CC2
InChIInChI=1S/C17H17F2NO/c1-21-14-5-2-11-3-7-17(15(11)9-14)20-10-12-8-13(18)4-6-16(12)19/h2,4-6,8-9,17,20H,3,7,10H2,1H3
InChIKeyULNNMJKZIXCCSJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370048
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229562
(1S)-2-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229560
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79370217) is N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCc1cc(F)ccc1F)CC2.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ULNNMJKZIXCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-21-14-5-2-11-3-7-17(15(11)9-14)20-10-12-8-13(18)4-6-16(12)19/h2,4-6,8-9,17,20H,3,7,10H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).