N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine

C27H27Cl2NO2 — CID 21413431

IUPACN,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C27H27Cl2NO2/c1-2-3-4-17-30(18-24-13-15-26(31-24)20-5-9-22(28)10-6-20)19-25-14-16-27(32-25)21-7-11-23(29)12-8-21/h5-16H,2-4,17-19H2,1H3
InChIKeyXDEAUSXZYHHPHG-UHFFFAOYSA-N
MW468.42 g/mol
LogP8.71
Rot. Bonds10

About N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine

N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine (PubChem CID 21413431) has the molecular formula C27H27Cl2NO2 and a molecular weight of 468.42 g/mol. Its IUPAC name is N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
PubChem CID21413431
Molecular FormulaC27H27Cl2NO2
Molecular Weight468.42 g/mol
Exact Mass467.14
IUPAC NameN,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C27H27Cl2NO2/c1-2-3-4-17-30(18-24-13-15-26(31-24)20-5-9-22(28)10-6-20)19-25-14-16-27(32-25)21-7-11-23(29)12-8-21/h5-16H,2-4,17-19H2,1H3
InChIKeyXDEAUSXZYHHPHG-UHFFFAOYSA-N
XLogP8.71
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.42
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
2-(4-chlorophenyl)-5-propylfuran
CID 91550346
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 21388068
3-[[5-(4-bromophenyl)furan-2-yl]methyl-ethylamino]propan-1-ol
CID 115674918
N',N'-dibutyl-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214757
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
2-butyl-5-(4-methylphenyl)furan
CID 86258788
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
CID 32526863
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
CID 112519724

Frequently Asked Questions

What is the IUPAC name of N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine?
The IUPAC name of N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine (CID 21413431) is N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine is CCCCCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine?
The InChIKey is XDEAUSXZYHHPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2NO2/c1-2-3-4-17-30(18-24-13-15-26(31-24)20-5-9-22(28)10-6-20)19-25-14-16-27(32-25)21-7-11-23(29)12-8-21/h5-16H,2-4,17-19H2,1H3.
What are the key properties of N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine?
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine has a molecular weight of 468.42 g/mol, XLogP of 8.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine is sourced from PubChem (CID 21413431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).