N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine

C15H23Cl2N — CID 65305971

IUPACN-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
SMILESCC(C)(C)NCCCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-15(2,3)18-10-6-4-5-7-12-8-9-13(16)11-14(12)17/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyJIZQBIKLGQTEBO-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.09
Rot. Bonds6

About N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine

N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine (PubChem CID 65305971) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
PubChem CID65305971
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
SMILESCC(C)(C)NCCCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-15(2,3)18-10-6-4-5-7-12-8-9-13(16)11-14(12)17/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyJIZQBIKLGQTEBO-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.09
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-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
7-(2,4-dichlorophenyl)heptane-1-thiol
CID 10731219
N'-tert-butyl-N-[(2,5-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410442
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
CID 10879673
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641300
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine (CID 65305971) is N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine is CC(C)(C)NCCCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine?
The InChIKey is JIZQBIKLGQTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-15(2,3)18-10-6-4-5-7-12-8-9-13(16)11-14(12)17/h8-9,11,18H,4-7,10H2,1-3H3.
What are the key properties of N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine?
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine is sourced from PubChem (CID 65305971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).