N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine

C19H23N — CID 63428115

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-2-11-20-14-15-5-3-7-17(12-15)19-10-9-16-6-4-8-18(16)13-19/h3,5,7,9-10,12-13,20H,2,4,6,8,11,14H2,1H3
InChIKeyKTNVWGDBRVFVEX-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.34
Rot. Bonds5

About N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine

N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine (PubChem CID 63428115) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
PubChem CID63428115
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-2-11-20-14-15-5-3-7-17(12-15)19-10-9-16-6-4-8-18(16)13-19/h3,5,7,9-10,12-13,20H,2,4,6,8,11,14H2,1H3
InChIKeyKTNVWGDBRVFVEX-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[3-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine (CID 63428115) is N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine?
The InChIKey is KTNVWGDBRVFVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-11-20-14-15-5-3-7-17(12-15)19-10-9-16-6-4-8-18(16)13-19/h3,5,7,9-10,12-13,20H,2,4,6,8,11,14H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine?
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63428115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).