N,N-dibenzyl-1,5-dichloropentan-2-amine

C19H23Cl2N — CID 59401528

IUPACN,N-dibenzyl-1,5-dichloropentan-2-amine
SMILESClCCCC(CCl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23Cl2N/c20-13-7-12-19(14-21)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyWMYITKFCIAEKDJ-UHFFFAOYSA-N
MW336.31 g/mol
LogP5.32
Rot. Bonds9

About N,N-dibenzyl-1,5-dichloropentan-2-amine

N,N-dibenzyl-1,5-dichloropentan-2-amine (PubChem CID 59401528) has the molecular formula C19H23Cl2N and a molecular weight of 336.31 g/mol. Its IUPAC name is N,N-dibenzyl-1,5-dichloropentan-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1,5-dichloropentan-2-amine
PubChem CID59401528
Molecular FormulaC19H23Cl2N
Molecular Weight336.31 g/mol
Exact Mass335.12
IUPAC NameN,N-dibenzyl-1,5-dichloropentan-2-amine
SMILESClCCCC(CCl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23Cl2N/c20-13-7-12-19(14-21)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyWMYITKFCIAEKDJ-UHFFFAOYSA-N
XLogP5.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 122547944
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(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
1-chloro-7-phenylheptan-4-ol
CID 54140253
(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
CID 10469724
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1,5-dichloropentan-2-amine?
The IUPAC name of N,N-dibenzyl-1,5-dichloropentan-2-amine (CID 59401528) is N,N-dibenzyl-1,5-dichloropentan-2-amine.
What is the SMILES notation for N,N-dibenzyl-1,5-dichloropentan-2-amine?
The canonical SMILES for N,N-dibenzyl-1,5-dichloropentan-2-amine is ClCCCC(CCl)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1,5-dichloropentan-2-amine?
The InChIKey is WMYITKFCIAEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N/c20-13-7-12-19(14-21)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2.
What are the key properties of N,N-dibenzyl-1,5-dichloropentan-2-amine?
N,N-dibenzyl-1,5-dichloropentan-2-amine has a molecular weight of 336.31 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1,5-dichloropentan-2-amine is sourced from PubChem (CID 59401528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).