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

C19H22IN — CID 65477430

IUPAC2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Cc1ccc(I)cc1
InChIInChI=1S/C19H22IN/c1-2-11-21-19-16(12-14-7-9-17(20)10-8-14)13-15-5-3-4-6-18(15)19/h3-10,16,19,21H,2,11-13H2,1H3
InChIKeyARAMIAMRIANRJT-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.75
Rot. Bonds5

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

2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 65477430) has the molecular formula C19H22IN and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID65477430
Molecular FormulaC19H22IN
Molecular Weight391.30 g/mol
Exact Mass391.08
IUPAC Name2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Cc1ccc(I)cc1
InChIInChI=1S/C19H22IN/c1-2-11-21-19-16(12-14-7-9-17(20)10-8-14)13-15-5-3-4-6-18(15)19/h3-10,16,19,21H,2,11-13H2,1H3
InChIKeyARAMIAMRIANRJT-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.75
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

2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104799962
N,2-dibenzyl-2,3-dihydro-1H-inden-1-amine
CID 70031705
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 64673627
2-(cyclopentylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403595
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63631769
2-(oxetan-3-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 102606043
6-(2-ethylbutyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 82932652
2-(cyclopentylmethoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 66322610
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 65477430) is 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ARAMIAMRIANRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN/c1-2-11-21-19-16(12-14-7-9-17(20)10-8-14)13-15-5-3-4-6-18(15)19/h3-10,16,19,21H,2,11-13H2,1H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 391.30 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65477430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).