N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine

C21H25ClN2 — CID 124826333

IUPACN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H25ClN2/c1-16(2)11-12-23-13-18-15-24(21-6-4-3-5-20(18)21)14-17-7-9-19(22)10-8-17/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyUWFZIZQUGVLEKU-UHFFFAOYSA-N
MW340.90 g/mol
LogP5.48
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine (PubChem CID 124826333) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
PubChem CID124826333
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H25ClN2/c1-16(2)11-12-23-13-18-15-24(21-6-4-3-5-20(18)21)14-17-7-9-19(22)10-8-17/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyUWFZIZQUGVLEKU-UHFFFAOYSA-N
XLogP5.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine (CID 124826333) is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine is CC(C)CCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine?
The InChIKey is UWFZIZQUGVLEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-16(2)11-12-23-13-18-15-24(21-6-4-3-5-20(18)21)14-17-7-9-19(22)10-8-17/h3-10,15-16,23H,11-14H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine?
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine has a molecular weight of 340.90 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 124826333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).