N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine

C23H24N2O — CID 142048694

IUPACN-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine
SMILESCCCNCOc1cccc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H24N2O/c1-2-15-24-17-26-22-14-8-13-21-23(22)19-11-6-7-12-20(19)25(21)16-18-9-4-3-5-10-18/h3-14,24H,2,15-17H2,1H3
InChIKeyVKPIQBUFJOIIDS-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.18
Rot. Bonds7

About N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine

N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine (PubChem CID 142048694) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine
PubChem CID142048694
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine
SMILESCCCNCOc1cccc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H24N2O/c1-2-15-24-17-26-22-14-8-13-21-23(22)19-11-6-7-12-20(19)25(21)16-18-9-4-3-5-10-18/h3-14,24H,2,15-17H2,1H3
InChIKeyVKPIQBUFJOIIDS-UHFFFAOYSA-N
XLogP5.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
CID 54300639
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
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1-benzyl-4-methoxy-2-propylindole
CID 16741747
9-benzyl-3-chlorocarbazol-4-ol
CID 18671656
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 161201502
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
2-(9-benzyl-3-chlorocarbazol-4-yl)oxyacetonitrile
CID 18671666
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 118667433
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142

Frequently Asked Questions

What is the IUPAC name of N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine?
The IUPAC name of N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine (CID 142048694) is N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine.
What is the SMILES notation for N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine?
The canonical SMILES for N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine is CCCNCOc1cccc2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine?
The InChIKey is VKPIQBUFJOIIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-15-24-17-26-22-14-8-13-21-23(22)19-11-6-7-12-20(19)25(21)16-18-9-4-3-5-10-18/h3-14,24H,2,15-17H2,1H3.
What are the key properties of N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine?
N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine is sourced from PubChem (CID 142048694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).