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

C17H17ClFNO — CID 79370048

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C17H17ClFNO/c1-21-13-5-3-12-4-7-17(14(12)9-13)20-10-11-2-6-16(19)15(18)8-11/h2-3,5-6,8-9,17,20H,4,7,10H2,1H3
InChIKeyHOBKFEBSTSUYBI-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.26
Rot. Bonds4

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

N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370048) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79370048
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C17H17ClFNO/c1-21-13-5-3-12-4-7-17(14(12)9-13)20-10-11-2-6-16(19)15(18)8-11/h2-3,5-6,8-9,17,20H,4,7,10H2,1H3
InChIKeyHOBKFEBSTSUYBI-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81333353
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
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
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79366136
6-methoxy-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 81171529

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79370048) is N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HOBKFEBSTSUYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-21-13-5-3-12-4-7-17(14(12)9-13)20-10-11-2-6-16(19)15(18)8-11/h2-3,5-6,8-9,17,20H,4,7,10H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.78 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).