N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine

C16H26ClN — CID 79446177

IUPACN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNC(C)(C)C)C1=CC=CC=C1Cl
InChIInChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3
InChIKeyPRGWENGNNLISFP-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.00
Rot. Bonds6

About N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine

N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine (PubChem CID 79446177) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
PubChem CID79446177
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNC(C)(C)C)C1=CC=CC=C1Cl
InChIInChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3
InChIKeyPRGWENGNNLISFP-UHFFFAOYSA-N
XLogP5.00
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity234

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine (CID 79446177) is N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine is CCC(C)C(CNC(C)(C)C)C1=CC=CC=C1Cl.
What is the InChIKey of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The InChIKey is PRGWENGNNLISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 79446177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).