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

C16H16IN — CID 65477774

IUPACN-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESIc1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C16H16IN/c17-14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)16/h1-6,8-9,16,18H,7,10-11H2
InChIKeyPNMMMRPSBQNYAX-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.07
Rot. Bonds3

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

N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 65477774) has the molecular formula C16H16IN and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID65477774
Molecular FormulaC16H16IN
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC NameN-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESIc1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C16H16IN/c17-14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)16/h1-6,8-9,16,18H,7,10-11H2
InChIKeyPNMMMRPSBQNYAX-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzenesulfinic acid
CID 118861554
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 65477774) is N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Ic1ccc(CNC2CCc3ccccc32)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PNMMMRPSBQNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN/c17-14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)16/h1-6,8-9,16,18H,7,10-11H2.
What are the key properties of N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 349.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65477774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).